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

Systemtic Name: 4-(6-carbamimidoyl-1-ethyl-indol-2-yl)-2-[2-oxidanylidene-3-(oxidanylidenemethylidene)pyrrolidin-1-yl]-2-pyrrolidin-1-yl-butanoic acid Openeye Name: 4-(6-carbamimidoyl-1-ethyl-indol-2-yl)-2-[2-oxo-3-(oxomethylene)pyrrolidin-1-yl]-2-pyrrolidin-1-yl-butanoic acid CAS Name: 4-(6-carbamimidoyl-1-ethyl-2-indolyl)-2-[2-oxo-3-(oxomethylidene)-1-pyrrolidinyl]-2-(1-pyrrolidinyl)butanoic acid IUPAC Name: 4-(6-carbamimidoyl-1-ethylindol-2-yl)-2-[2-oxo-3-(oxomethylidene)pyrrolidin-1-yl]-2-pyrrolidin-1-ylbutanoic acid Traditional Name: 4-(6-amidino-1-ethyl-indol-2-yl)-2-[2-keto-3-(ketomethylene)pyrrolidino]-2-pyrrolidino-butyric acid Formula: C24H29N5O4 MolecularWeight: 451.51816

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC2=C1C=C(C=C2)C(=N)N)CCC(C(=O)O)(N3CCCC3)N4CCC(=C=O)C4=O

Isomeric SMILES

CCN1C(=CC2=C1C=C(C=C2)C(=N)N)CCC(C(=O)O)(N3CCCC3)N4CCC(=C=O)C4=O

InChI

InChI=1S/C24H29N5O4/c1-2-28-19(13-16-5-6-17(21(25)26)14-20(16)28)7-9-24(23(32)33,27-10-3-4-11-27)29-12-8-18(15-30)22(29)31/h5-6,13-14H,2-4,7-12H2,1H3,(H3,25,26)(H,32,33)