[2-(oxidanylidenemethylidene)pyrrolidin-1-yl] 2-(acetamidomethyl)-4-(6-carbamimidoyl-1-ethyl-indol-2-yl)-2-pyrrolidin-1-yl-butanoate

Systemtic Name: [2-(oxidanylidenemethylidene)pyrrolidin-1-yl] 2-(acetamidomethyl)-4-(6-carbamimidoyl-1-ethyl-indol-2-yl)-2-pyrrolidin-1-yl-butanoate Openeye Name: [2-(oxomethylene)pyrrolidin-1-yl] 2-(acetamidomethyl)-4-(6-carbamimidoyl-1-ethyl-indol-2-yl)-2-pyrrolidin-1-yl-butanoate CAS Name: 2-(acetamidomethyl)-4-(6-carbamimidoyl-1-ethyl-2-indolyl)-2-(1-pyrrolidinyl)butanoic acid [2-(oxomethylidene)-1-pyrrolidinyl] ester IUPAC Name: [2-(oxomethylidene)pyrrolidin-1-yl] 2-(acetamidomethyl)-4-(6-carbamimidoyl-1-ethylindol-2-yl)-2-pyrrolidin-1-ylbutanoate Traditional Name: 2-(acetamidomethyl)-4-(6-amidino-1-ethyl-indol-2-yl)-2-pyrrolidino-butyric acid [2-(ketomethylene)pyrrolidino] ester Formula: C27H36N6O4 MolecularWeight: 508.61254

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC2=C1C=C(C=C2)C(=N)N)CCC(CNC(=O)C)(C(=O)ON3CCCC3=C=O)N4CCCC4

Isomeric SMILES

CCN1C(=CC2=C1C=C(C=C2)C(=N)N)CCC(CNC(=O)C)(C(=O)ON3CCCC3=C=O)N4CCCC4

InChI

InChI=1S/C27H36N6O4/c1-3-32-22(15-20-8-9-21(25(28)29)16-24(20)32)10-11-27(18-30-19(2)35,31-12-4-5-13-31)26(36)37-33-14-6-7-23(33)17-34/h8-9,15-16H,3-7,10-14,18H2,1-2H3,(H3,28,29)(H,30,35)