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

Systemtic Name: 2-[[3-[(2-azanyl-3-sulfanyl-propanoyl)-methyl-amino]-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl]-ethanoyl-amino]-3-phenyl-propanoic acid Openeye Name: 2-[acetyl-[3-[(2-amino-3-sulfanyl-propanoyl)-methyl-amino]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]amino]-3-phenyl-propanoic acid CAS Name: 2-[acetyl-[3-[(2-amino-3-mercapto-1-oxopropyl)-methylamino]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[acetyl-[3-[(2-amino-3-sulfanylpropanoyl)-methylamino]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]amino]-3-phenylpropanoic acid Traditional Name: 2-[acetyl-[3-[(2-amino-3-mercapto-propanoyl)-methyl-amino]-2-keto-5-phenyl-3H-1,4-benzodiazepin-1-yl]amino]-3-phenyl-propionic acid Formula: C30H31N5O5S MolecularWeight: 573.66264

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C(CC1=CC=CC=C1)C(=O)O)N2C3=CC=CC=C3C(=NC(C2=O)N(C)C(=O)C(CS)N)C4=CC=CC=C4

Isomeric SMILES

CC(=O)N(C(CC1=CC=CC=C1)C(=O)O)N2C3=CC=CC=C3C(=NC(C2=O)N(C)C(=O)C(CS)N)C4=CC=CC=C4

InChI

InChI=1S/C30H31N5O5S/c1-19(36)34(25(30(39)40)17-20-11-5-3-6-12-20)35-24-16-10-9-15-22(24)26(21-13-7-4-8-14-21)32-27(29(35)38)33(2)28(37)23(31)18-41/h3-16,23,25,27,41H,17-18,31H2,1-2H3,(H,39,40)