2-[2-[3-[(2-azanyl-3-sulfanyl-propanoyl)-methyl-amino]-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl]ethanoylamino]-4-methyl-pentanoic acid; 2H-1,2,3,4-tetrazole

Systemtic Name: 2-[2-[3-[(2-azanyl-3-sulfanyl-propanoyl)-methyl-amino]-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl]ethanoylamino]-4-methyl-pentanoic acid; 2H-1,2,3,4-tetrazole Openeye Name: 2-[[2-[3-[(2-amino-3-sulfanyl-propanoyl)-methyl-amino]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]acetyl]amino]-4-methyl-pentanoic acid; 2H-tetrazole CAS Name: 2-[[2-[3-[(2-amino-3-mercapto-1-oxopropyl)-methylamino]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]-1-oxoethyl]amino]-4-methylpentanoic acid; 2H-tetrazole IUPAC Name: 2-[[2-[3-[(2-amino-3-sulfanylpropanoyl)-methylamino]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]acetyl]amino]-4-methylpentanoic acid; 2H-tetrazole Traditional Name: 2-[[2-[3-[(2-amino-3-mercapto-propanoyl)-methyl-amino]-2-keto-5-phenyl-3H-1,4-benzodiazepin-1-yl]acetyl]amino]-4-methyl-valeric acid; 2H-tetrazole Formula: C28H35N9O5S MolecularWeight: 609.6998

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)CN1C2=CC=CC=C2C(=NC(C1=O)N(C)C(=O)C(CS)N)C3=CC=CC=C3.C1=NNN=N1

Isomeric SMILES

CC(C)CC(C(=O)O)NC(=O)CN1C2=CC=CC=C2C(=NC(C1=O)N(C)C(=O)C(CS)N)C3=CC=CC=C3.C1=NNN=N1

InChI

InChI=1S/C27H33N5O5S.CH2N4/c1-16(2)13-20(27(36)37)29-22(33)14-32-21-12-8-7-11-18(21)23(17-9-5-4-6-10-17)30-24(26(32)35)31(3)25(34)19(28)15-38;1-2-4-5-3-1/h4-12,16,19-20,24,38H,13-15,28H2,1-3H3,(H,29,33)(H,36,37);1H,(H,2,3,4,5)