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

Systemtic Name: [(2S)-6-azanyl-1-methoxy-1-oxidanylidene-hexan-2-yl]-(2-methylpropyl)-(4-nitrophenyl)sulfonyl-phenylmethoxycarbonyl-azanium Openeye Name: [(1S)-5-amino-1-methoxycarbonyl-pentyl]-benzyloxycarbonyl-isobutyl-(4-nitrophenyl)sulfonyl-ammonium CAS Name: [(2S)-6-amino-1-methoxy-1-oxohexan-2-yl]-(2-methylpropyl)-(4-nitrophenyl)sulfonyl-phenylmethoxycarbonylammonium IUPAC Name: [(2S)-6-amino-1-methoxy-1-oxohexan-2-yl]-(2-methylpropyl)-(4-nitrophenyl)sulfonyl-phenylmethoxycarbonylazanium Traditional Name: [(1S)-5-amino-1-carbomethoxy-pentyl]-carbobenzoxy-isobutyl-nosyl-ammonium Formula: C25H34N3O8S+ MolecularWeight: 536.61776

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[N+](C(CCCCN)C(=O)OC)(C(=O)OCC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)C[N+]([C@@H](CCCCN)C(=O)OC)(C(=O)OCC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C25H34N3O8S/c1-19(2)17-28(23(24(29)35-3)11-7-8-16-26,25(30)36-18-20-9-5-4-6-10-20)37(33,34)22-14-12-21(13-15-22)27(31)32/h4-6,9-10,12-15,19,23H,7-8,11,16-18,26H2,1-3H3/q+1/t23-,28?/m0/s1