5-[5-[[2,6-bis(chloranyl)phenyl]methyl]-1,2,3,4-tetrazol-2-yl]-4-oxidanylidene-3-[2-(phenylmethoxycarbonylamino)ethylsulfonylamino]pentanoic acid

Systemtic Name: 5-[5-[[2,6-bis(chloranyl)phenyl]methyl]-1,2,3,4-tetrazol-2-yl]-4-oxidanylidene-3-[2-(phenylmethoxycarbonylamino)ethylsulfonylamino]pentanoic acid Openeye Name: 3-[2-(benzyloxycarbonylamino)ethylsulfonylamino]-5-[5-[(2,6-dichlorophenyl)methyl]tetrazol-2-yl]-4-oxo-pentanoic acid CAS Name: 5-[5-[(2,6-dichlorophenyl)methyl]-2-tetrazolyl]-4-oxo-3-[2-(phenylmethoxycarbonylamino)ethylsulfonylamino]pentanoic acid IUPAC Name: 5-[5-[(2,6-dichlorophenyl)methyl]tetrazol-2-yl]-4-oxo-3-[2-(phenylmethoxycarbonylamino)ethylsulfonylamino]pentanoic acid Traditional Name: 3-[2-(benzyloxycarbonylamino)ethylsulfonylamino]-5-[5-(2,6-dichlorobenzyl)tetrazol-2-yl]-4-keto-valeric acid Formula: C23H24Cl2N6O7S MolecularWeight: 599.44366

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NCCS(=O)(=O)NC(CC(=O)O)C(=O)CN2N=C(N=N2)CC3=C(C=CC=C3Cl)Cl

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NCCS(=O)(=O)NC(CC(=O)O)C(=O)CN2N=C(N=N2)CC3=C(C=CC=C3Cl)Cl

InChI

InChI=1S/C23H24Cl2N6O7S/c24-17-7-4-8-18(25)16(17)11-21-27-30-31(28-21)13-20(32)19(12-22(33)34)29-39(36,37)10-9-26-23(35)38-14-15-5-2-1-3-6-15/h1-8,19,29H,9-14H2,(H,26,35)(H,33,34)