5-(5-naphthalen-2-ylsulfanyl-1,2,3,4-tetrazol-2-yl)-4-oxidanylidene-3-(phenylmethoxycarbonylamino)pentanoic acid

Systemtic Name: 5-(5-naphthalen-2-ylsulfanyl-1,2,3,4-tetrazol-2-yl)-4-oxidanylidene-3-(phenylmethoxycarbonylamino)pentanoic acid Openeye Name: 3-(benzyloxycarbonylamino)-5-[5-(2-naphthylsulfanyl)tetrazol-2-yl]-4-oxo-pentanoic acid CAS Name: 5-[5-(2-naphthalenylthio)-2-tetrazolyl]-4-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid IUPAC Name: 5-(5-naphthalen-2-ylsulfanyltetrazol-2-yl)-4-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid Traditional Name: 3-(benzyloxycarbonylamino)-4-keto-5-[5-(2-naphthylthio)tetrazol-2-yl]valeric acid Formula: C24H21N5O5S MolecularWeight: 491.51904

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CC(=O)O)C(=O)CN2N=C(N=N2)SC3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC(CC(=O)O)C(=O)CN2N=C(N=N2)SC3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C24H21N5O5S/c30-21(20(13-22(31)32)25-24(33)34-15-16-6-2-1-3-7-16)14-29-27-23(26-28-29)35-19-11-10-17-8-4-5-9-18(17)12-19/h1-12,20H,13-15H2,(H,25,33)(H,31,32)