(2R)-2-[[2-[(6-methyl-2-oxidanylidene-1H-pyridin-3-yl)carbonylamino]-4-sulfanyl-butanoyl]amino]-3-phenyl-propanoic acid

Systemtic Name: (2R)-2-[[2-[(6-methyl-2-oxidanylidene-1H-pyridin-3-yl)carbonylamino]-4-sulfanyl-butanoyl]amino]-3-phenyl-propanoic acid Openeye Name: (2R)-2-[[2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]-4-sulfanyl-butanoyl]amino]-3-phenyl-propanoic acid CAS Name: (2R)-2-[[4-mercapto-2-[[(6-methyl-2-oxo-1H-pyridin-3-yl)-oxomethyl]amino]-1-oxobutyl]amino]-3-phenylpropanoic acid IUPAC Name: (2R)-2-[[2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]-4-sulfanylbutanoyl]amino]-3-phenylpropanoic acid Traditional Name: (2R)-2-[[2-[(2-keto-6-methyl-1H-pyridine-3-carbonyl)amino]-4-mercapto-butanoyl]amino]-3-phenyl-propionic acid Formula: C20H23N3O5S MolecularWeight: 417.47872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C(=O)N1)C(=O)NC(CCS)C(=O)NC(CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC1=CC=C(C(=O)N1)C(=O)NC(CCS)C(=O)N[C@H](CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C20H23N3O5S/c1-12-7-8-14(17(24)21-12)18(25)22-15(9-10-29)19(26)23-16(20(27)28)11-13-5-3-2-4-6-13/h2-8,15-16,29H,9-11H2,1H3,(H,21,24)(H,22,25)(H,23,26)(H,27,28)/t15?,16-/m1/s1