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

Systemtic Name: 2-[2-[3-[(2-azanyl-3-sulfanyl-propanoyl)-methyl-amino]-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl]ethanoyl-methyl-amino]ethanoic acid Openeye Name: 2-[[2-[3-[(2-amino-3-sulfanyl-propanoyl)-methyl-amino]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]acetyl]-methyl-amino]acetic acid CAS Name: 2-[[2-[3-[(2-amino-3-mercapto-1-oxopropyl)-methylamino]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]-1-oxoethyl]-methylamino]acetic acid IUPAC Name: 2-[[2-[3-[(2-amino-3-sulfanylpropanoyl)-methylamino]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]acetyl]-methylamino]acetic acid Traditional Name: 2-[[2-[3-[(2-amino-3-mercapto-propanoyl)-methyl-amino]-2-keto-5-phenyl-3H-1,4-benzodiazepin-1-yl]acetyl]-methyl-amino]acetic acid Formula: C24H27N5O5S MolecularWeight: 497.56668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)O)C(=O)CN1C2=CC=CC=C2C(=NC(C1=O)N(C)C(=O)C(CS)N)C3=CC=CC=C3

Isomeric SMILES

CN(CC(=O)O)C(=O)CN1C2=CC=CC=C2C(=NC(C1=O)N(C)C(=O)C(CS)N)C3=CC=CC=C3

InChI

InChI=1S/C24H27N5O5S/c1-27(13-20(31)32)19(30)12-29-18-11-7-6-10-16(18)21(15-8-4-3-5-9-15)26-22(24(29)34)28(2)23(33)17(25)14-35/h3-11,17,22,35H,12-14,25H2,1-2H3,(H,31,32)