diethyl (2S)-2-[[4-[(3-azanyl-2-sulfanyl-propyl)amino]phenyl]carbonylamino]pentanedioate

Systemtic Name: diethyl (2S)-2-[[4-[(3-azanyl-2-sulfanyl-propyl)amino]phenyl]carbonylamino]pentanedioate Openeye Name: diethyl (2S)-2-[[4-[(3-amino-2-sulfanyl-propyl)amino]benzoyl]amino]pentanedioate CAS Name: (2S)-2-[[[4-[(3-amino-2-mercaptopropyl)amino]phenyl]-oxomethyl]amino]pentanedioic acid diethyl ester IUPAC Name: diethyl (2S)-2-[[4-[(3-amino-2-sulfanylpropyl)amino]benzoyl]amino]pentanedioate Traditional Name: (2S)-2-[[4-[(3-amino-2-mercapto-propyl)amino]benzoyl]amino]glutaric acid diethyl ester Formula: C19H29N3O5S MolecularWeight: 411.51566

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)NCC(CN)S

Isomeric SMILES

CCOC(=O)CC[C@@H](C(=O)OCC)NC(=O)C1=CC=C(C=C1)NCC(CN)S

InChI

InChI=1S/C19H29N3O5S/c1-3-26-17(23)10-9-16(19(25)27-4-2)22-18(24)13-5-7-14(8-6-13)21-12-15(28)11-20/h5-8,15-16,21,28H,3-4,9-12,20H2,1-2H3,(H,22,24)/t15?,16-/m0/s1