2-[[2-[(3-methyl-2-sulfanyl-butanoyl)amino]-4-phenyl-butanoyl]amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[2-[(3-methyl-2-sulfanyl-butanoyl)amino]-4-phenyl-butanoyl]amino]-3-phenyl-propanoic acid Openeye Name: 2-[[2-[(3-methyl-2-sulfanyl-butanoyl)amino]-4-phenyl-butanoyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[2-[(2-mercapto-3-methyl-1-oxobutyl)amino]-1-oxo-4-phenylbutyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[2-[(3-methyl-2-sulfanylbutanoyl)amino]-4-phenylbutanoyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[2-[(2-mercapto-3-methyl-butanoyl)amino]-4-phenyl-butanoyl]amino]-3-phenyl-propionic acid Formula: C24H30N2O4S MolecularWeight: 442.571

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CCC1=CC=CC=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)O)S

Isomeric SMILES

CC(C)C(C(=O)NC(CCC1=CC=CC=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)O)S

InChI

InChI=1S/C24H30N2O4S/c1-16(2)21(31)23(28)25-19(14-13-17-9-5-3-6-10-17)22(27)26-20(24(29)30)15-18-11-7-4-8-12-18/h3-12,16,19-21,31H,13-15H2,1-2H3,(H,25,28)(H,26,27)(H,29,30)