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

Systemtic Name: methyl (2S)-2-[[1-[(2S)-2-formamido-4-methylsulfanyl-butanoyl]azetidin-2-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[1-[(2S)-2-formamido-4-methylsulfanyl-butanoyl]azetidine-2-carbonyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[[1-[(2S)-2-formamido-4-(methylthio)-1-oxobutyl]-2-azetidinyl]-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[1-[(2S)-2-formamido-4-methylsulfanylbutanoyl]azetidine-2-carbonyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[1-[(2S)-2-formamido-4-(methylthio)butanoyl]azetidine-2-carbonyl]amino]-3-phenyl-propionic acid methyl ester Formula: C20H27N3O5S MolecularWeight: 421.51048

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)C2CCN2C(=O)C(CCSC)NC=O

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2CCN2C(=O)[C@H](CCSC)NC=O

InChI

InChI=1S/C20H27N3O5S/c1-28-20(27)16(12-14-6-4-3-5-7-14)22-18(25)17-8-10-23(17)19(26)15(21-13-24)9-11-29-2/h3-7,13,15-17H,8-12H2,1-2H3,(H,21,24)(H,22,25)/t15-,16-,17?/m0/s1