[2-(oxidanylidenemethylidene)pyrrolidin-1-yl] 2-azanyl-5-(6-carbamimidoyl-1-ethyl-indol-2-yl)-3-methanoyl-2-pyrrolidin-1-yl-pentanoate

Systemtic Name: [2-(oxidanylidenemethylidene)pyrrolidin-1-yl] 2-azanyl-5-(6-carbamimidoyl-1-ethyl-indol-2-yl)-3-methanoyl-2-pyrrolidin-1-yl-pentanoate Openeye Name: [2-(oxomethylene)pyrrolidin-1-yl] 2-amino-5-(6-carbamimidoyl-1-ethyl-indol-2-yl)-3-formyl-2-pyrrolidin-1-yl-pentanoate CAS Name: 2-amino-5-(6-carbamimidoyl-1-ethyl-2-indolyl)-3-formyl-2-(1-pyrrolidinyl)pentanoic acid [2-(oxomethylidene)-1-pyrrolidinyl] ester IUPAC Name: [2-(oxomethylidene)pyrrolidin-1-yl] 2-amino-5-(6-carbamimidoyl-1-ethylindol-2-yl)-3-formyl-2-pyrrolidin-1-ylpentanoate Traditional Name: 5-(6-amidino-1-ethyl-indol-2-yl)-2-amino-3-formyl-2-pyrrolidino-valeric 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=O)C(C(=O)ON3CCCC3=C=O)(N)N4CCCC4

Isomeric SMILES

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

InChI

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