(2R)-2-[[2-[(1-methylpyrrol-2-yl)carbonylamino]-4-sulfanyl-butanoyl]amino]-3-phenyl-propanoic acid

Systemtic Name: (2R)-2-[[2-[(1-methylpyrrol-2-yl)carbonylamino]-4-sulfanyl-butanoyl]amino]-3-phenyl-propanoic acid Openeye Name: (2R)-2-[[2-[(1-methylpyrrole-2-carbonyl)amino]-4-sulfanyl-butanoyl]amino]-3-phenyl-propanoic acid CAS Name: (2R)-2-[[4-mercapto-2-[[(1-methyl-2-pyrrolyl)-oxomethyl]amino]-1-oxobutyl]amino]-3-phenylpropanoic acid IUPAC Name: (2R)-2-[[2-[(1-methylpyrrole-2-carbonyl)amino]-4-sulfanylbutanoyl]amino]-3-phenylpropanoic acid Traditional Name: (2R)-2-[[4-mercapto-2-[(1-methylpyrrole-2-carbonyl)amino]butanoyl]amino]-3-phenyl-propionic acid Formula: C19H23N3O4S MolecularWeight: 389.46862

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(=O)NC(CCS)C(=O)NC(CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CN1C=CC=C1C(=O)NC(CCS)C(=O)N[C@H](CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C19H23N3O4S/c1-22-10-5-8-16(22)18(24)20-14(9-11-27)17(23)21-15(19(25)26)12-13-6-3-2-4-7-13/h2-8,10,14-15,27H,9,11-12H2,1H3,(H,20,24)(H,21,23)(H,25,26)/t14?,15-/m1/s1