ethyl 1-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-1-(propanoylamino)-2-pyridin-2-ylcarbonyl-indol-1-ium-6-carboxylate

Systemtic Name: ethyl 1-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-1-(propanoylamino)-2-pyridin-2-ylcarbonyl-indol-1-ium-6-carboxylate Openeye Name: ethyl 1-[bis(tert-butoxycarbonyl)amino]-1-(propanoylamino)-2-(pyridine-2-carbonyl)indol-1-ium-6-carboxylate CAS Name: 1-[bis[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-(1-oxopropylamino)-2-[oxo(2-pyridinyl)methyl]-6-indol-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-1-(propanoylamino)-2-(pyridine-2-carbonyl)indol-1-ium-6-carboxylate Traditional Name: 1-[bis(tert-butoxycarbonyl)amino]-2-picolinoyl-1-propionamido-indol-1-ium-6-carboxylic acid ethyl ester Formula: C30H37N4O8+ MolecularWeight: 581.63678

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N[N+]1(C(=CC2=C1C=C(C=C2)C(=O)OCC)C(=O)C3=CC=CC=N3)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

Isomeric SMILES

CCC(=O)N[N+]1(C(=CC2=C1C=C(C=C2)C(=O)OCC)C(=O)C3=CC=CC=N3)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

InChI

InChI=1S/C30H36N4O8/c1-9-24(35)32-34(33(27(38)41-29(3,4)5)28(39)42-30(6,7)8)22-18-20(26(37)40-10-2)15-14-19(22)17-23(34)25(36)21-13-11-12-16-31-21/h11-18H,9-10H2,1-8H3/p+1