phenylmethoxycarbonylamino 5-(1H-1,2,4-triazol-5-ylsulfonyl)pentanoate

Systemtic Name: phenylmethoxycarbonylamino 5-(1H-1,2,4-triazol-5-ylsulfonyl)pentanoate Openeye Name: benzyloxycarbonylamino 5-(1H-1,2,4-triazol-5-ylsulfonyl)pentanoate CAS Name: 5-(1H-1,2,4-triazol-5-ylsulfonyl)pentanoic acid phenylmethoxycarbonylamino ester IUPAC Name: phenylmethoxycarbonylamino 5-(1H-1,2,4-triazol-5-ylsulfonyl)pentanoate Traditional Name: 5-(1H-1,2,4-triazol-5-ylsulfonyl)valeric acid benzyloxycarbonylamino ester Formula: C15H18N4O6S MolecularWeight: 382.39162

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NOC(=O)CCCCS(=O)(=O)C2=NC=NN2

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NOC(=O)CCCCS(=O)(=O)C2=NC=NN2

InChI

InChI=1S/C15H18N4O6S/c20-13(8-4-5-9-26(22,23)14-16-11-17-18-14)25-19-15(21)24-10-12-6-2-1-3-7-12/h1-3,6-7,11H,4-5,8-10H2,(H,19,21)(H,16,17,18)