2-[1-azanyl-3-oxidanyl-1-oxidanylidene-3-(1-phenylmethoxycarbonylpiperidin-4-yl)propan-2-yl]sulfonyl-3,4-dihydro-1H-pyrido[3,4-b]indole-9-carboxylic acid

Systemtic Name: 2-[1-azanyl-3-oxidanyl-1-oxidanylidene-3-(1-phenylmethoxycarbonylpiperidin-4-yl)propan-2-yl]sulfonyl-3,4-dihydro-1H-pyrido[3,4-b]indole-9-carboxylic acid Openeye Name: 2-[2-amino-1-[(1-benzyloxycarbonyl-4-piperidyl)-hydroxy-methyl]-2-oxo-ethyl]sulfonyl-3,4-dihydro-1H-pyrido[3,4-b]indole-9-carboxylic acid CAS Name: 2-[1-amino-3-hydroxy-1-oxo-3-(1-phenylmethoxycarbonyl-4-piperidinyl)propan-2-yl]sulfonyl-3,4-dihydro-1H-pyrido[3,4-b]indole-9-carboxylic acid IUPAC Name: 2-[1-amino-3-hydroxy-1-oxo-3-(1-phenylmethoxycarbonylpiperidin-4-yl)propan-2-yl]sulfonyl-3,4-dihydro-1H-pyrido[3,4-b]indole-9-carboxylic acid Traditional Name: 2-[1-carbamoyl-2-(1-carbobenzoxy-4-piperidyl)-2-hydroxy-ethyl]sulfonyl-3,4-dihydro-1H-$b-carboline-9-carboxylic acid Formula: C28H32N4O8S MolecularWeight: 584.64068

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(C(C(=O)N)S(=O)(=O)N2CCC3=C(C2)N(C4=CC=CC=C34)C(=O)O)O)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1C(C(C(=O)N)S(=O)(=O)N2CCC3=C(C2)N(C4=CC=CC=C34)C(=O)O)O)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C28H32N4O8S/c29-26(34)25(24(33)19-10-13-30(14-11-19)28(37)40-17-18-6-2-1-3-7-18)41(38,39)31-15-12-21-20-8-4-5-9-22(20)32(27(35)36)23(21)16-31/h1-9,19,24-25,33H,10-17H2,(H2,29,34)(H,35,36)