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

Systemtic Name: 5-azanyl-2-[2-[3-[(2-azanyl-3-sulfanyl-propanoyl)-methyl-amino]-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl]ethanoylamino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-amino-2-[[2-[3-[(2-amino-3-sulfanyl-propanoyl)-methyl-amino]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]acetyl]amino]-5-oxo-pentanoic acid CAS Name: 5-amino-2-[[2-[3-[(2-amino-3-mercapto-1-oxopropyl)-methylamino]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]-1-oxoethyl]amino]-5-oxopentanoic acid IUPAC Name: 5-amino-2-[[2-[3-[(2-amino-3-sulfanylpropanoyl)-methylamino]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]acetyl]amino]-5-oxopentanoic acid Traditional Name: 5-amino-2-[[2-[3-[(2-amino-3-mercapto-propanoyl)-methyl-amino]-2-keto-5-phenyl-3H-1,4-benzodiazepin-1-yl]acetyl]amino]-5-keto-valeric acid Formula: C26H30N6O6S MolecularWeight: 554.618

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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)NC(CCC(=O)N)C(=O)O)C(=O)C(CS)N

Isomeric SMILES

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

InChI

InChI=1S/C26H30N6O6S/c1-31(24(35)17(27)14-39)23-25(36)32(13-21(34)29-18(26(37)38)11-12-20(28)33)19-10-6-5-9-16(19)22(30-23)15-7-3-2-4-8-15/h2-10,17-18,23,39H,11-14,27H2,1H3,(H2,28,33)(H,29,34)(H,37,38)