D7G

((1S)-1-((((1S)-1-BENZYL-3-(CYCLOPROPYLAMINO)-2,3-DIOXOPROPYL)AMINO)CARBONYL)-3-METHYLBUTYL)CARBAMIC ACID 5-METHOXY-3-OXAPENTYL ESTER


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Chemical Component Summary

Name((1S)-1-((((1S)-1-BENZYL-3-(CYCLOPROPYLAMINO)-2,3-DIOXOPROPYL)AMINO)CARBONYL)-3-METHYLBUTYL)CARBAMIC ACID 5-METHOXY-3-OXAPENTYL ESTER
SynonymsSNJ-1945
Identifiers2-(2-methoxyethoxy)ethyl N-[(2S)-1-[[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-phenyl-butan-2-yl]amino]-4-methyl-1-oxo-pentan-2-yl]carbamate
FormulaC25 H37 N3 O7
Molecular Weight491.577
TypeNON-POLYMER
Isomeric SMILESCC(C)C[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NC2CC2)NC(=O)OCCOCCOC
InChIInChI=1S/C25H37N3O7/c1-17(2)15-21(28-25(32)35-14-13-34-12-11-33-3)23(30)27-20(16-18-7-5-4-6-8-18)22(29)24(31)26-19-9-10-19/h4-8,17,19-21H,9-16H2,1-3H3,(H,26,31)(H,27,30)(H,28,32)/t20-,21-/m0/s1
InChIKeyPMEQLUMDXFJNRY-SFTDATJTSA-N

Chemical Details

Formal Charge0
Atom Count72
Chiral Atom Count2
Bond Count73
Aromatic Bond Count6

Related Resource References

Resource NameReference
Pharos CHEMBL475920
PubChem 6857712
ChEMBL CHEMBL475920