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

Systemtic Name: (2R)-2-[[2-[(3-acetamidophenyl)carbonylamino]-4-sulfanyl-butanoyl]amino]-3-phenyl-propanoic acid Openeye Name: (2R)-2-[[2-[(3-acetamidobenzoyl)amino]-4-sulfanyl-butanoyl]amino]-3-phenyl-propanoic acid CAS Name: (2R)-2-[[2-[[(3-acetamidophenyl)-oxomethyl]amino]-4-mercapto-1-oxobutyl]amino]-3-phenylpropanoic acid IUPAC Name: (2R)-2-[[2-[(3-acetamidobenzoyl)amino]-4-sulfanylbutanoyl]amino]-3-phenylpropanoic acid Traditional Name: (2R)-2-[[2-[(3-acetamidobenzoyl)amino]-4-mercapto-butanoyl]amino]-3-phenyl-propionic acid Formula: C22H25N3O5S MolecularWeight: 443.516

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)C(=O)NC(CCS)C(=O)NC(CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)C(=O)NC(CCS)C(=O)N[C@H](CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C22H25N3O5S/c1-14(26)23-17-9-5-8-16(13-17)20(27)24-18(10-11-31)21(28)25-19(22(29)30)12-15-6-3-2-4-7-15/h2-9,13,18-19,31H,10-12H2,1H3,(H,23,26)(H,24,27)(H,25,28)(H,29,30)/t18?,19-/m1/s1