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

Systemtic Name: [(2S)-6-azanyl-1-oxidanylidene-1-phenylmethoxy-hexan-2-yl]-(4-tert-butylphenyl)sulfonyl-(2-methylpropyl)-phenylmethoxycarbonyl-azanium Openeye Name: [(1S)-5-amino-1-benzyloxycarbonyl-pentyl]-benzyloxycarbonyl-(4-tert-butylphenyl)sulfonyl-isobutyl-ammonium CAS Name: [(2S)-6-amino-1-oxo-1-phenylmethoxyhexan-2-yl]-(4-tert-butylphenyl)sulfonyl-(2-methylpropyl)-phenylmethoxycarbonylammonium IUPAC Name: [(2S)-6-amino-1-oxo-1-phenylmethoxyhexan-2-yl]-(4-tert-butylphenyl)sulfonyl-(2-methylpropyl)-phenylmethoxycarbonylazanium Traditional Name: [(1S)-5-amino-1-carbobenzoxy-pentyl]-(4-tert-butylphenyl)sulfonyl-carbobenzoxy-isobutyl-ammonium Formula: C35H47N2O6S+ MolecularWeight: 623.82248

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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)C(C)(C)C

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)C(C)(C)C

InChI

InChI=1S/C35H47N2O6S/c1-27(2)24-37(34(39)43-26-29-16-10-7-11-17-29,44(40,41)31-21-19-30(20-22-31)35(3,4)5)32(18-12-13-23-36)33(38)42-25-28-14-8-6-9-15-28/h6-11,14-17,19-22,27,32H,12-13,18,23-26,36H2,1-5H3/q+1/t32-,37?/m0/s1