[2-(oxidanylidenemethylidene)pyrrolidin-1-yl] 3-azanyl-2-[2-(6-carbamimidoyl-1-ethyl-indol-2-yl)ethyl]-4-oxidanylidene-2-pyrrolidin-1-yl-butanoate

Systemtic Name: [2-(oxidanylidenemethylidene)pyrrolidin-1-yl] 3-azanyl-2-[2-(6-carbamimidoyl-1-ethyl-indol-2-yl)ethyl]-4-oxidanylidene-2-pyrrolidin-1-yl-butanoate Openeye Name: [2-(oxomethylene)pyrrolidin-1-yl] 3-amino-2-[2-(6-carbamimidoyl-1-ethyl-indol-2-yl)ethyl]-4-oxo-2-pyrrolidin-1-yl-butanoate CAS Name: 3-amino-2-[2-(6-carbamimidoyl-1-ethyl-2-indolyl)ethyl]-4-oxo-2-(1-pyrrolidinyl)butanoic acid [2-(oxomethylidene)-1-pyrrolidinyl] ester IUPAC Name: [2-(oxomethylidene)pyrrolidin-1-yl] 3-amino-2-[2-(6-carbamimidoyl-1-ethylindol-2-yl)ethyl]-4-oxo-2-pyrrolidin-1-ylbutanoate Traditional Name: 2-[2-(6-amidino-1-ethyl-indol-2-yl)ethyl]-3-amino-4-keto-2-pyrrolidino-butyric acid [2-(ketomethylene)pyrrolidino] ester Formula: C26H34N6O4 MolecularWeight: 494.58596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H34N6O4/c1-2-31-20(14-18-7-8-19(24(28)29)15-22(18)31)9-10-26(23(27)17-34,30-11-3-4-12-30)25(35)36-32-13-5-6-21(32)16-33/h7-8,14-15,17,23H,2-6,9-13,27H2,1H3,(H3,28,29)