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

Systemtic Name: [(2S)-6-azanyl-1-oxidanylidene-1-phenylmethoxy-hexan-2-yl]-(4-iodophenyl)sulfonyl-(2-methylpropyl)-phenylmethoxycarbonyl-azanium Openeye Name: [(1S)-5-amino-1-benzyloxycarbonyl-pentyl]-benzyloxycarbonyl-(4-iodophenyl)sulfonyl-isobutyl-ammonium CAS Name: [(2S)-6-amino-1-oxo-1-phenylmethoxyhexan-2-yl]-(4-iodophenyl)sulfonyl-(2-methylpropyl)-phenylmethoxycarbonylammonium IUPAC Name: [(2S)-6-amino-1-oxo-1-phenylmethoxyhexan-2-yl]-(4-iodophenyl)sulfonyl-(2-methylpropyl)-phenylmethoxycarbonylazanium Traditional Name: [(1S)-5-amino-1-carbobenzoxy-pentyl]-carbobenzoxy-(4-iodophenyl)sulfonyl-isobutyl-ammonium Formula: C31H38IN2O6S+ MolecularWeight: 693.61269

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[N+](C(CCCCN)C(=O)OCC1=CC=CC=C1)(C(=O)OCC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)I

Isomeric SMILES

CC(C)C[N+]([C@@H](CCCCN)C(=O)OCC1=CC=CC=C1)(C(=O)OCC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)I

InChI

InChI=1S/C31H38IN2O6S/c1-24(2)21-34(31(36)40-23-26-13-7-4-8-14-26,41(37,38)28-18-16-27(32)17-19-28)29(15-9-10-20-33)30(35)39-22-25-11-5-3-6-12-25/h3-8,11-14,16-19,24,29H,9-10,15,20-23,33H2,1-2H3/q+1/t29-,34?/m0/s1