(2R)-2-[[2-[(2-acetyloxyphenyl)carbonylamino]-4-sulfanyl-butanoyl]amino]-3-phenyl-propanoic acid

Systemtic Name: (2R)-2-[[2-[(2-acetyloxyphenyl)carbonylamino]-4-sulfanyl-butanoyl]amino]-3-phenyl-propanoic acid Openeye Name: (2R)-2-[[2-[(2-acetoxybenzoyl)amino]-4-sulfanyl-butanoyl]amino]-3-phenyl-propanoic acid CAS Name: (2R)-2-[[2-[[(2-acetyloxyphenyl)-oxomethyl]amino]-4-mercapto-1-oxobutyl]amino]-3-phenylpropanoic acid IUPAC Name: (2R)-2-[[2-[(2-acetyloxybenzoyl)amino]-4-sulfanylbutanoyl]amino]-3-phenylpropanoic acid Traditional Name: (2R)-2-[[2-[(2-acetoxybenzoyl)amino]-4-mercapto-butanoyl]amino]-3-phenyl-propionic acid Formula: C22H24N2O6S MolecularWeight: 444.50076

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=CC=C1C(=O)NC(CCS)C(=O)NC(CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(=O)OC1=CC=CC=C1C(=O)NC(CCS)C(=O)N[C@H](CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C22H24N2O6S/c1-14(25)30-19-10-6-5-9-16(19)20(26)23-17(11-12-31)21(27)24-18(22(28)29)13-15-7-3-2-4-8-15/h2-10,17-18,31H,11-13H2,1H3,(H,23,26)(H,24,27)(H,28,29)/t17?,18-/m1/s1