1-[2-[3-[(2-azanyl-3-sulfanyl-propanoyl)-methyl-amino]-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl]ethanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-[3-[(2-azanyl-3-sulfanyl-propanoyl)-methyl-amino]-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl]ethanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-[3-[(2-amino-3-sulfanyl-propanoyl)-methyl-amino]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]acetyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[3-[(2-amino-3-mercapto-1-oxopropyl)-methylamino]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]-1-oxoethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-[3-[(2-amino-3-sulfanylpropanoyl)-methylamino]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]acetyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[3-[(2-amino-3-mercapto-propanoyl)-methyl-amino]-2-keto-5-phenyl-3H-1,4-benzodiazepin-1-yl]acetyl]proline Formula: C26H29N5O5S MolecularWeight: 523.60396

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1C(=O)N(C2=CC=CC=C2C(=N1)C3=CC=CC=C3)CC(=O)N4CCCC4C(=O)O)C(=O)C(CS)N

Isomeric SMILES

CN(C1C(=O)N(C2=CC=CC=C2C(=N1)C3=CC=CC=C3)CC(=O)N4CCCC4C(=O)O)C(=O)C(CS)N

InChI

InChI=1S/C26H29N5O5S/c1-29(24(33)18(27)15-37)23-25(34)31(14-21(32)30-13-7-12-20(30)26(35)36)19-11-6-5-10-17(19)22(28-23)16-8-3-2-4-9-16/h2-6,8-11,18,20,23,37H,7,12-15,27H2,1H3,(H,35,36)