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

Systemtic Name: [(2S)-6-azanyl-1-methoxy-1-oxidanylidene-hexan-2-yl]-(cyclopentylmethyl)-(4-methoxyphenyl)sulfonyl-phenylmethoxycarbonyl-azanium Openeye Name: [(1S)-5-amino-1-methoxycarbonyl-pentyl]-benzyloxycarbonyl-(cyclopentylmethyl)-(4-methoxyphenyl)sulfonyl-ammonium CAS Name: [(2S)-6-amino-1-methoxy-1-oxohexan-2-yl]-(cyclopentylmethyl)-(4-methoxyphenyl)sulfonyl-phenylmethoxycarbonylammonium IUPAC Name: [(2S)-6-amino-1-methoxy-1-oxohexan-2-yl]-(cyclopentylmethyl)-(4-methoxyphenyl)sulfonyl-phenylmethoxycarbonylazanium Traditional Name: [(1S)-5-amino-1-carbomethoxy-pentyl]-carbobenzoxy-(cyclopentylmethyl)-(4-methoxyphenyl)sulfonyl-ammonium Formula: C28H39N2O7S+ MolecularWeight: 547.68346

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)[N+](CC2CCCC2)(C(CCCCN)C(=O)OC)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)[N+](CC2CCCC2)([C@@H](CCCCN)C(=O)OC)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C28H39N2O7S/c1-35-24-15-17-25(18-16-24)38(33,34)30(20-22-10-6-7-11-22,26(27(31)36-2)14-8-9-19-29)28(32)37-21-23-12-4-3-5-13-23/h3-5,12-13,15-18,22,26H,6-11,14,19-21,29H2,1-2H3/q+1/t26-,30?/m0/s1