[(2S)-6-azanyl-1-oxidanylidene-1-phenylmethoxy-hexan-2-yl]-(4-methylphenyl)sulfonyl-phenylmethoxycarbonyl-(phenylmethyl)azanium

Systemtic Name: [(2S)-6-azanyl-1-oxidanylidene-1-phenylmethoxy-hexan-2-yl]-(4-methylphenyl)sulfonyl-phenylmethoxycarbonyl-(phenylmethyl)azanium Openeye Name: [(1S)-5-amino-1-benzyloxycarbonyl-pentyl]-benzyl-benzyloxycarbonyl-(p-tolylsulfonyl)ammonium CAS Name: [(2S)-6-amino-1-oxo-1-phenylmethoxyhexan-2-yl]-(4-methylphenyl)sulfonyl-phenylmethoxycarbonyl-(phenylmethyl)ammonium IUPAC Name: [(2S)-6-amino-1-oxo-1-phenylmethoxyhexan-2-yl]-benzyl-(4-methylphenyl)sulfonyl-phenylmethoxycarbonylazanium Traditional Name: [(1S)-5-amino-1-carbobenzoxy-pentyl]-benzyl-carbobenzoxy-tosyl-ammonium Formula: C35H39N2O6S+ MolecularWeight: 615.75896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[N+](CC2=CC=CC=C2)(C(CCCCN)C(=O)OCC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[N+](CC2=CC=CC=C2)([C@@H](CCCCN)C(=O)OCC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C35H39N2O6S/c1-28-20-22-32(23-21-28)44(40,41)37(25-29-13-5-2-6-14-29,35(39)43-27-31-17-9-4-10-18-31)33(19-11-12-24-36)34(38)42-26-30-15-7-3-8-16-30/h2-10,13-18,20-23,33H,11-12,19,24-27,36H2,1H3/q+1/t33-,37?/m0/s1