methyl 2-[[4-(aminomethyl)-3-(5-oxidanylidenepyrrolidin-2-yl)carbonyl-2-phenyl-phenyl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-[[4-(aminomethyl)-3-(5-oxidanylidenepyrrolidin-2-yl)carbonyl-2-phenyl-phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[[4-(aminomethyl)-3-(5-oxopyrrolidine-2-carbonyl)-2-phenyl-benzoyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[[4-(aminomethyl)-3-[oxo-(5-oxo-2-pyrrolidinyl)methyl]-2-phenylphenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[[4-(aminomethyl)-3-(5-oxopyrrolidine-2-carbonyl)-2-phenylbenzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[4-(aminomethyl)-2-phenyl-3-pyroglutamoyl-benzoyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C25H29N3O5S MolecularWeight: 483.57986

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1=C(C(=C(C=C1)CN)C(=O)C2CCC(=O)N2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C(CCSC)NC(=O)C1=C(C(=C(C=C1)CN)C(=O)C2CCC(=O)N2)C3=CC=CC=C3

InChI

InChI=1S/C25H29N3O5S/c1-33-25(32)19(12-13-34-2)28-24(31)17-9-8-16(14-26)22(21(17)15-6-4-3-5-7-15)23(30)18-10-11-20(29)27-18/h3-9,18-19H,10-14,26H2,1-2H3,(H,27,29)(H,28,31)