2-acetamido-N-[3-[(2-azanyl-3-sulfanyl-propanoyl)-methyl-amino]-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl]-4-methylsulfanyl-butanamide

Systemtic Name: 2-acetamido-N-[3-[(2-azanyl-3-sulfanyl-propanoyl)-methyl-amino]-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl]-4-methylsulfanyl-butanamide Openeye Name: 2-acetamido-N-[3-[(2-amino-3-sulfanyl-propanoyl)-methyl-amino]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]-4-methylsulfanyl-butanamide CAS Name: 2-acetamido-N-[3-[(2-amino-3-mercapto-1-oxopropyl)-methylamino]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]-4-(methylthio)butanamide IUPAC Name: 2-acetamido-N-[3-[(2-amino-3-sulfanylpropanoyl)-methylamino]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]-4-methylsulfanylbutanamide Traditional Name: 2-acetamido-N-[3-[(2-amino-3-mercapto-propanoyl)-methyl-amino]-2-keto-5-phenyl-3H-1,4-benzodiazepin-1-yl]-4-(methylthio)butyramide Formula: C26H32N6O4S2 MolecularWeight: 556.70008

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CCSC)C(=O)NN1C2=CC=CC=C2C(=NC(C1=O)N(C)C(=O)C(CS)N)C3=CC=CC=C3

Isomeric SMILES

CC(=O)NC(CCSC)C(=O)NN1C2=CC=CC=C2C(=NC(C1=O)N(C)C(=O)C(CS)N)C3=CC=CC=C3

InChI

InChI=1S/C26H32N6O4S2/c1-16(33)28-20(13-14-38-3)24(34)30-32-21-12-8-7-11-18(21)22(17-9-5-4-6-10-17)29-23(26(32)36)31(2)25(35)19(27)15-37/h4-12,19-20,23,37H,13-15,27H2,1-3H3,(H,28,33)(H,30,34)