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

Systemtic Name: 2-[2-[3-[(2-azanyl-3-oxidanyl-propanoyl)-methyl-amino]-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl]ethanoylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[2-[3-[(2-amino-3-hydroxy-propanoyl)-methyl-amino]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]acetyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[2-[3-[(2-amino-3-hydroxy-1-oxopropyl)-methylamino]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]-1-oxoethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[2-[3-[(2-amino-3-hydroxypropanoyl)-methylamino]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]acetyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[2-[3-[(2-amino-3-hydroxy-propanoyl)-methyl-amino]-2-keto-5-phenyl-3H-1,4-benzodiazepin-1-yl]acetyl]amino]-4-(methylthio)butyric acid Formula: C26H31N5O6S MolecularWeight: 541.61924

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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(CCSC)C(=O)O)C(=O)C(CO)N

Isomeric SMILES

CN(C1C(=O)N(C2=CC=CC=C2C(=N1)C3=CC=CC=C3)CC(=O)NC(CCSC)C(=O)O)C(=O)C(CO)N

InChI

InChI=1S/C26H31N5O6S/c1-30(24(34)18(27)15-32)23-25(35)31(14-21(33)28-19(26(36)37)12-13-38-2)20-11-7-6-10-17(20)22(29-23)16-8-4-3-5-9-16/h3-11,18-19,23,32H,12-15,27H2,1-2H3,(H,28,33)(H,36,37)