methyl (2S)-2-[[(2R)-2-azanyl-3-[(4-methylphenyl)methylsulfanyl]propanoyl]amino]-3-oxidanyl-propanoate

Systemtic Name: methyl (2S)-2-[[(2R)-2-azanyl-3-[(4-methylphenyl)methylsulfanyl]propanoyl]amino]-3-oxidanyl-propanoate Openeye Name: methyl (2S)-2-[[(2R)-2-amino-3-(p-tolylmethylsulfanyl)propanoyl]amino]-3-hydroxy-propanoate CAS Name: (2S)-2-[[(2R)-2-amino-3-[(4-methylphenyl)methylthio]-1-oxopropyl]amino]-3-hydroxypropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2R)-2-amino-3-[(4-methylphenyl)methylsulfanyl]propanoyl]amino]-3-hydroxypropanoate Traditional Name: (2S)-2-[[(2R)-2-amino-3-[(4-methylbenzyl)thio]propanoyl]amino]-3-hydroxy-propionic acid methyl ester Formula: C15H22N2O4S MolecularWeight: 326.41118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSCC(C(=O)NC(CO)C(=O)OC)N

Isomeric SMILES

CC1=CC=C(C=C1)CSC[C@@H](C(=O)N[C@@H](CO)C(=O)OC)N

InChI

InChI=1S/C15H22N2O4S/c1-10-3-5-11(6-4-10)8-22-9-12(16)14(19)17-13(7-18)15(20)21-2/h3-6,12-13,18H,7-9,16H2,1-2H3,(H,17,19)/t12-,13-/m0/s1