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

Systemtic Name: (2R)-2-[[2-[(2-methylphenyl)carbonylamino]-4-sulfanyl-butanoyl]amino]-3-phenyl-propanoic acid Openeye Name: (2R)-2-[[2-[(2-methylbenzoyl)amino]-4-sulfanyl-butanoyl]amino]-3-phenyl-propanoic acid CAS Name: (2R)-2-[[4-mercapto-2-[[(2-methylphenyl)-oxomethyl]amino]-1-oxobutyl]amino]-3-phenylpropanoic acid IUPAC Name: (2R)-2-[[2-[(2-methylbenzoyl)amino]-4-sulfanylbutanoyl]amino]-3-phenylpropanoic acid Traditional Name: (2R)-2-[[4-mercapto-2-(o-toluoylamino)butanoyl]amino]-3-phenyl-propionic acid Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC(CCS)C(=O)NC(CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC(CCS)C(=O)N[C@H](CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C21H24N2O4S/c1-14-7-5-6-10-16(14)19(24)22-17(11-12-28)20(25)23-18(21(26)27)13-15-8-3-2-4-9-15/h2-10,17-18,28H,11-13H2,1H3,(H,22,24)(H,23,25)(H,26,27)/t17?,18-/m1/s1