methyl (2S)-2-(phenylmethoxycarbonylamino)-5-(1H-1,2,4-triazol-5-ylsulfanyl)pentanoate

Systemtic Name: methyl (2S)-2-(phenylmethoxycarbonylamino)-5-(1H-1,2,4-triazol-5-ylsulfanyl)pentanoate Openeye Name: methyl (2S)-2-(benzyloxycarbonylamino)-5-(1H-1,2,4-triazol-5-ylsulfanyl)pentanoate CAS Name: (2S)-2-(phenylmethoxycarbonylamino)-5-(1H-1,2,4-triazol-5-ylthio)pentanoic acid methyl ester IUPAC Name: methyl (2S)-2-(phenylmethoxycarbonylamino)-5-(1H-1,2,4-triazol-5-ylsulfanyl)pentanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-5-(1H-1,2,4-triazol-5-ylthio)valeric acid methyl ester Formula: C16H20N4O4S MolecularWeight: 364.4194

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCCSC1=NC=NN1)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

COC(=O)[C@H](CCCSC1=NC=NN1)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C16H20N4O4S/c1-23-14(21)13(8-5-9-25-15-17-11-18-20-15)19-16(22)24-10-12-6-3-2-4-7-12/h2-4,6-7,11,13H,5,8-10H2,1H3,(H,19,22)(H,17,18,20)/t13-/m0/s1