(phenylmethyl) N-[4-azanyl-5-oxidanylidene-5-[[(2S)-1-oxidanylidene-1-[2-[2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanylcarbonyl-propan-2-yl-amino]ethanoyl]pyrrolidin-1-yl]propan-2-yl]amino]pentyl]carbamate hydrochloride

Systemtic Name: (phenylmethyl) N-[4-azanyl-5-oxidanylidene-5-[[(2S)-1-oxidanylidene-1-[2-[2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanylcarbonyl-propan-2-yl-amino]ethanoyl]pyrrolidin-1-yl]propan-2-yl]amino]pentyl]carbamate hydrochloride Openeye Name: benzyl N-[4-amino-5-[[(1S)-2-[2-[2-[isopropyl-(1-phenyltetrazol-5-yl)sulfanylcarbonyl-amino]acetyl]pyrrolidin-1-yl]-1-methyl-2-oxo-ethyl]amino]-5-oxo-pentyl]carbamate hydrochloride CAS Name: N-[4-amino-5-oxo-5-[[(2S)-1-oxo-1-[2-[1-oxo-2-[[oxo-[(1-phenyl-5-tetrazolyl)thio]methyl]-propan-2-ylamino]ethyl]-1-pyrrolidinyl]propan-2-yl]amino]pentyl]carbamic acid (phenylmethyl) ester hydrochloride IUPAC Name: benzyl N-[4-amino-5-oxo-5-[[(2S)-1-oxo-1-[2-[2-[(1-phenyltetrazol-5-yl)sulfanylcarbonyl-propan-2-ylamino]acetyl]pyrrolidin-1-yl]propan-2-yl]amino]pentyl]carbamate hydrochloride Traditional Name: N-[4-amino-5-[[(1S)-2-[2-[2-[isopropyl-[(1-phenyltetrazol-5-yl)thio]carbonyl-amino]acetyl]pyrrolidino]-2-keto-1-methyl-ethyl]amino]-5-keto-pentyl]carbamic acid benzyl ester hydrochloride Formula: C33H44ClN9O6S MolecularWeight: 730.27716

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC(=O)C1CCCN1C(=O)C(C)NC(=O)C(CCCNC(=O)OCC2=CC=CC=C2)N)C(=O)SC3=NN=NN3C4=CC=CC=C4.Cl

Isomeric SMILES

C[C@@H](C(=O)N1CCCC1C(=O)CN(C(C)C)C(=O)SC2=NN=NN2C3=CC=CC=C3)NC(=O)C(CCCNC(=O)OCC4=CC=CC=C4)N.Cl

InChI

InChI=1S/C33H43N9O6S.ClH/c1-22(2)41(33(47)49-31-37-38-39-42(31)25-14-8-5-9-15-25)20-28(43)27-17-11-19-40(27)30(45)23(3)36-29(44)26(34)16-10-18-35-32(46)48-21-24-12-6-4-7-13-24;/h4-9,12-15,22-23,26-27H,10-11,16-21,34H2,1-3H3,(H,35,46)(H,36,44);1H/t23-,26?,27?;/m0./s1