3-[[2-[acetamido(methyl)amino]-3-sulfanyl-propanoyl]amino]-2-oxidanyl-4-phenyl-butanoic acid

Systemtic Name: 3-[[2-[acetamido(methyl)amino]-3-sulfanyl-propanoyl]amino]-2-oxidanyl-4-phenyl-butanoic acid Openeye Name: 3-[[2-[acetamido(methyl)amino]-3-sulfanyl-propanoyl]amino]-2-hydroxy-4-phenyl-butanoic acid CAS Name: 3-[[2-[acetamido(methyl)amino]-3-mercapto-1-oxopropyl]amino]-2-hydroxy-4-phenylbutanoic acid IUPAC Name: 3-[[2-[acetamido(methyl)amino]-3-sulfanylpropanoyl]amino]-2-hydroxy-4-phenylbutanoic acid Traditional Name: 3-[[2-[acetamido(methyl)amino]-3-mercapto-propanoyl]amino]-2-hydroxy-4-phenyl-butyric acid Formula: C16H23N3O5S MolecularWeight: 369.43592

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NN(C)C(CS)C(=O)NC(CC1=CC=CC=C1)C(C(=O)O)O

Isomeric SMILES

CC(=O)NN(C)C(CS)C(=O)NC(CC1=CC=CC=C1)C(C(=O)O)O

InChI

InChI=1S/C16H23N3O5S/c1-10(20)18-19(2)13(9-25)15(22)17-12(14(21)16(23)24)8-11-6-4-3-5-7-11/h3-7,12-14,21,25H,8-9H2,1-2H3,(H,17,22)(H,18,20)(H,23,24)