(2R)-2-[[2-[(5-methylthiophen-2-yl)carbonylamino]-4-sulfanyl-butanoyl]amino]-3-phenyl-propanoic acid

Systemtic Name: (2R)-2-[[2-[(5-methylthiophen-2-yl)carbonylamino]-4-sulfanyl-butanoyl]amino]-3-phenyl-propanoic acid Openeye Name: (2R)-2-[[2-[(5-methylthiophene-2-carbonyl)amino]-4-sulfanyl-butanoyl]amino]-3-phenyl-propanoic acid CAS Name: (2R)-2-[[4-mercapto-2-[[(5-methyl-2-thiophenyl)-oxomethyl]amino]-1-oxobutyl]amino]-3-phenylpropanoic acid IUPAC Name: (2R)-2-[[2-[(5-methylthiophene-2-carbonyl)amino]-4-sulfanylbutanoyl]amino]-3-phenylpropanoic acid Traditional Name: (2R)-2-[[4-mercapto-2-[(5-methylthiophene-2-carbonyl)amino]butanoyl]amino]-3-phenyl-propionic acid Formula: C19H22N2O4S2 MolecularWeight: 406.51898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)NC(CCS)C(=O)NC(CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC1=CC=C(S1)C(=O)NC(CCS)C(=O)N[C@H](CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C19H22N2O4S2/c1-12-7-8-16(27-12)18(23)20-14(9-10-26)17(22)21-15(19(24)25)11-13-5-3-2-4-6-13/h2-8,14-15,26H,9-11H2,1H3,(H,20,23)(H,21,22)(H,24,25)/t14?,15-/m1/s1