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

Systemtic Name: [(2S)-6-azanyl-1-oxidanylidene-1-phenylmethoxy-hexan-2-yl]-(2-methylpropyl)-(4-nitrophenyl)sulfonyl-phenylmethoxycarbonyl-azanium Openeye Name: [(1S)-5-amino-1-benzyloxycarbonyl-pentyl]-benzyloxycarbonyl-isobutyl-(4-nitrophenyl)sulfonyl-ammonium CAS Name: [(2S)-6-amino-1-oxo-1-phenylmethoxyhexan-2-yl]-(2-methylpropyl)-(4-nitrophenyl)sulfonyl-phenylmethoxycarbonylammonium IUPAC Name: [(2S)-6-amino-1-oxo-1-phenylmethoxyhexan-2-yl]-(2-methylpropyl)-(4-nitrophenyl)sulfonyl-phenylmethoxycarbonylazanium Traditional Name: [(1S)-5-amino-1-carbobenzoxy-pentyl]-carbobenzoxy-isobutyl-nosyl-ammonium Formula: C31H38N3O8S+ MolecularWeight: 612.71372

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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)[N+](=O)[O-]

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)[N+](=O)[O-]

InChI

InChI=1S/C31H38N3O8S/c1-24(2)21-34(31(36)42-23-26-13-7-4-8-14-26,43(39,40)28-18-16-27(17-19-28)33(37)38)29(15-9-10-20-32)30(35)41-22-25-11-5-3-6-12-25/h3-8,11-14,16-19,24,29H,9-10,15,20-23,32H2,1-2H3/q+1/t29-,34?/m0/s1