2-[[2-azanyl-3-[(4-methoxyphenyl)methylsulfanyl]-3-methyl-butanoyl]amino]-3-oxidanyl-propanoate

Systemtic Name: 2-[[2-azanyl-3-[(4-methoxyphenyl)methylsulfanyl]-3-methyl-butanoyl]amino]-3-oxidanyl-propanoate Openeye Name: 2-[[2-amino-3-[(4-methoxyphenyl)methylsulfanyl]-3-methyl-butanoyl]amino]-3-hydroxy-propanoate CAS Name: 2-[[2-amino-3-[(4-methoxyphenyl)methylthio]-3-methyl-1-oxobutyl]amino]-3-hydroxypropanoate IUPAC Name: 2-[[2-amino-3-[(4-methoxyphenyl)methylsulfanyl]-3-methylbutanoyl]amino]-3-hydroxypropanoate Traditional Name: 2-[[2-amino-3-methyl-3-(p-anisylthio)butanoyl]amino]-3-hydroxy-propionate Formula: C16H23N2O5S- MolecularWeight: 355.42922

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C(=O)NC(CO)C(=O)[O-])N)SCC1=CC=C(C=C1)OC

Isomeric SMILES

CC(C)(C(C(=O)NC(CO)C(=O)[O-])N)SCC1=CC=C(C=C1)OC

InChI

InChI=1S/C16H24N2O5S/c1-16(2,13(17)14(20)18-12(8-19)15(21)22)24-9-10-4-6-11(23-3)7-5-10/h4-7,12-13,19H,8-9,17H2,1-3H3,(H,18,20)(H,21,22)/p-1