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Tetraethyl N,n'-(methylenedicyclohexane-4,1-diyl)bis-dl-aspartate

UUID f976169b-2a19-48c4-8d0a-0e1f2b17227b
Flow Object IDfo-31e154fd8d0fd76b
Source EF 3.1
Context Environmental → Water → Ocean
CAS Numbers 136210-30-5
EC Numbers 429-270-1
prefLabel
Language Value Provenance
en Tetraethyl N,n'-(methylenedicyclohexane-4,1-diyl)bis-dl-aspartate
altLabel ⓘ
Language Value Provenance
en 1,1′,4,4′-Tetraethyl <em>N</em>,<em>N</em>′-(methylenedi-4,1-cyclohexanediyl)bis[aspartate]
en <span class="text-smallcaps">DL</span>-Aspartic acid, <em>N</em>,<em>N</em>′-(methylenedi-4,1-cyclohexanediyl)bis-, tetraethyl ester
en Aspartic acid, <em>N</em>,<em>N</em>′-(methylenedi-4,1-cyclohexanediyl)bis-, 1,1′,4,4′-tetraethyl ester
en Aspartic acid, <em>N</em>,<em>N</em>′-(methylenedi-4,1-cyclohexanediyl)bis-, tetraethyl ester
en Desmophen LS 2973
en Desmophen NH 1423LF
en Desmophen XP 7068
en Feispartic F 420
References
Shared Properties
Predicate Value
InChIKey VLJCQQPKCXJKKM-BNNJRXDXSA-N, VLJCQQPKCXJKKM-UHFFFAOYSA-N
InChI InChI=1S/C29H50N2O8/c1-5-36-26(32)18-24(28(34)38-7-3)30-22-13-9-20(10-14-22)17-21-11-15-23(16-12-21)31-25(29(35)39-8-4)19-27(33)37-6-2/h20-25,30-31H,5-19H2,1-4H3, InChI=1S/C29H50N2O8/c1-5-36-26(32)18-24(28(34)38-7-3)30-22-13-9-20(10-14-22)17-21-11-15-23(16-12-21)31-25(29(35)39-8-4)19-27(33)37-6-2/h20-25,30-31H,5-19H2,1-4H3/t20?,21?,22?,23?,24-,25-/m0/s1
IUPAC name (2S)-2-[[4-[[4-[[(1S)-1-carbethoxy-3-ethoxy-3-keto-propyl]amino]cyclohexyl]methyl]cyclohexyl]amino]succinic acid diethyl ester, (2S)-2-[[4-[[4-[[(2S)-1,4-diethoxy-1,4-dioxobutan-2-yl]amino]cyclohexyl]methyl]cyclohexyl]amino]butanedioic acid diethyl ester, 2-[[4-[[4-[(1,4-diethoxy-1,4-dioxobutan-2-yl)amino]cyclohexyl]methyl]cyclohexyl]amino]butanedioic acid diethyl ester, 2-[[4-[[4-[(1-carbethoxy-3-ethoxy-3-keto-propyl)amino]cyclohexyl]methyl]cyclohexyl]amino]succinic acid diethyl ester, diethyl (2S)-2-[[4-[[4-[[(1S)-3-ethoxy-1-ethoxycarbonyl-3-oxo-propyl]amino]cyclohexyl]methyl]cyclohexyl]amino]butanedioate, diethyl (2S)-2-[[4-[[4-[[(2S)-1,4-diethoxy-1,4-bis(oxidanylidene)butan-2-yl]amino]cyclohexyl]methyl]cyclohexyl]amino]butanedioate, diethyl (2S)-2-[[4-[[4-[[(2S)-1,4-diethoxy-1,4-dioxobutan-2-yl]amino]cyclohexyl]methyl]cyclohexyl]amino]butanedioate, diethyl 2-[[4-[[4-[(1,4-diethoxy-1,4-dioxobutan-2-yl)amino]cyclohexyl]methyl]cyclohexyl]amino]butanedioate, diethyl 2-[[4-[[4-[(3-ethoxy-1-ethoxycarbonyl-3-oxo-propyl)amino]cyclohexyl]methyl]cyclohexyl]amino]butanedioate, diethyl 2-[[4-[[4-[[1,4-diethoxy-1,4-bis(oxidanylidene)butan-2-yl]amino]cyclohexyl]methyl]cyclohexyl]amino]butanedioate
Molecular formula C29H50N2O8
SMILES CCOC(=O)CC(C(=O)OCC)NC1CCC(CC1)CC2CCC(CC2)NC(CC(=O)OCC)C(=O)OCC, CCOC(=O)C[C@@H](C(=O)OCC)NC1CCC(CC1)CC2CCC(CC2)N[C@@H](CC(=O)OCC)C(=O)OCC

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 f976169b-2a19-48c4-8d0a-0e1f2b17227b tetraethyl n,n'-(methylenedicyclohexane-4,1-diyl)bis-dl-aspartate

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 tetraethyl n,n'-(methylenedicyclohexane-4,1-diyl)bis-dl-aspartate Emissions/Emissions to water/Emissions to sea water kg exactMatch —

Consolidated Field Provenance

0 total PROV activity record(s) for this flow.

Field Change Count Latest Time Transformers Latest Comment
altLabel 1 — consensus_match group_key=tetraethyln,n'-(methylenedicyclohexane-4,1-diyl)bis-dl-aspartate||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=136210-30-5; added Common Chemistry CAS names as altLabel: 1,1′,4,4′-Tetraethyl <em>N</em>,<em>N</em>′-(methylenedi-4,1-cyclohexanediyl)bis[aspartate], <span class="text-smallcaps">DL</span>-Aspartic acid, <em>N</em>,<em>N</em>′-(methylenedi-4,1-cyclohexanediyl)bis-, tetraethyl ester, Aspartic acid, <em>N</em>,<em>N</em>′-(methylenedi-4,1-cyclohexanediyl)bis-, 1,1′,4,4′-tetraethyl ester, Aspartic acid, <em>N</em>,<em>N</em>′-(methylenedi-4,1-cyclohexanediyl)bis-, tetraethyl ester, Desmophen LS 2973, Desmophen NH 1423LF, Desmophen XP 7068, Feispartic F 420; object_uuid=fo-31e154fd8d0fd76b
cas_match_labels 1 — consensus_match group_key=tetraethyln,n'-(methylenedicyclohexane-4,1-diyl)bis-dl-aspartate||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['pubchem']; cas_sources={'136210-30-5': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-31e154fd8d0fd76b: {'136210-30-5': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodyOcean

Consensus Changes

Field Old Value New Value Comment
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cas_match_labels None {'136210-30-5': 'exactMatch'} group_key=tetraethyln,n'-(methylenedicyclohexane-4,1-diyl)bis-dl-aspartate||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['pubchem']; cas_sources={'136210-30-5': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-31e154fd8d0fd76b: {'136210-30-5': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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        "(2S)-2-[[4-[[4-[[(2S)-1,4-diethoxy-1,4-dioxobutan-2-yl]amino]cyclohexyl]methyl]cyclohexyl]amino]butanedioic acid diethyl ester",
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