methyl (2S)-2-[[1-[(2S)-2-formamido-4-methylsulfanyl-butanoyl]piperidin-2-yl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[[1-[(2S)-2-formamido-4-methylsulfanyl-butanoyl]piperidin-2-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[1-[(2S)-2-formamido-4-methylsulfanyl-butanoyl]piperidine-2-carbonyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[[1-[(2S)-2-formamido-4-(methylthio)-1-oxobutyl]-2-piperidinyl]-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[1-[(2S)-2-formamido-4-methylsulfanylbutanoyl]piperidine-2-carbonyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[1-[(2S)-2-formamido-4-(methylthio)butanoyl]pipecoloyl]amino]-3-phenyl-propionic acid methyl ester Formula: C22H31N3O5S MolecularWeight: 449.56364

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)C2CCCCN2C(=O)C(CCSC)NC=O

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2CCCCN2C(=O)[C@H](CCSC)NC=O

InChI

InChI=1S/C22H31N3O5S/c1-30-22(29)18(14-16-8-4-3-5-9-16)24-20(27)19-10-6-7-12-25(19)21(28)17(23-15-26)11-13-31-2/h3-5,8-9,15,17-19H,6-7,10-14H2,1-2H3,(H,23,26)(H,24,27)/t17-,18-,19?/m0/s1