methyl (2S)-2-[[1-(cyclopentylmethyl)-1,2,3-triazol-4-yl]methoxycarbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2S)-2-[[1-(cyclopentylmethyl)-1,2,3-triazol-4-yl]methoxycarbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[[1-(cyclopentylmethyl)triazol-4-yl]methoxycarbonylamino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[[1-(cyclopentylmethyl)-4-triazolyl]methoxy-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[1-(cyclopentylmethyl)triazol-4-yl]methoxycarbonylamino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[1-(cyclopentylmethyl)triazol-4-yl]methoxycarbonylamino]-4-(methylthio)butyric acid methyl ester Formula: C16H21N4O4S MolecularWeight: 365.42734

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)OCC1=CN(N=N1)C[C]2[CH][CH][CH][CH]2

Isomeric SMILES

COC(=O)[C@H](CCSC)NC(=O)OCC1=CN(N=N1)C[C]2[CH][CH][CH][CH]2

InChI

InChI=1S/C16H21N4O4S/c1-23-15(21)14(7-8-25-2)17-16(22)24-11-13-10-20(19-18-13)9-12-5-3-4-6-12/h3-6,10,14H,7-9,11H2,1-2H3,(H,17,22)/t14-/m0/s1