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

Systemtic Name: 3-azanyl-4-[2-[2-[2-(6-carbamimidoyl-1-ethyl-indol-2-yl)ethyl]pyrrolidin-1-yl]carbonylpyrrolidin-1-yl]-4-oxidanylidene-butanoic acid Openeye Name: 3-amino-4-[2-[2-[2-(6-carbamimidoyl-1-ethyl-indol-2-yl)ethyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-4-oxo-butanoic acid CAS Name: 3-amino-4-[2-[[2-[2-(6-carbamimidoyl-1-ethyl-2-indolyl)ethyl]-1-pyrrolidinyl]-oxomethyl]-1-pyrrolidinyl]-4-oxobutanoic acid IUPAC Name: 3-amino-4-[2-[2-[2-(6-carbamimidoyl-1-ethylindol-2-yl)ethyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-4-oxobutanoic acid Traditional Name: 4-[2-[2-[2-(6-amidino-1-ethyl-indol-2-yl)ethyl]pyrrolidine-1-carbonyl]pyrrolidino]-3-amino-4-keto-butyric acid Formula: C26H36N6O4 MolecularWeight: 496.60184

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC2=C1C=C(C=C2)C(=N)N)CCC3CCCN3C(=O)C4CCCN4C(=O)C(CC(=O)O)N

Isomeric SMILES

CCN1C(=CC2=C1C=C(C=C2)C(=N)N)CCC3CCCN3C(=O)C4CCCN4C(=O)C(CC(=O)O)N

InChI

InChI=1S/C26H36N6O4/c1-2-30-19(13-16-7-8-17(24(28)29)14-22(16)30)10-9-18-5-3-11-31(18)26(36)21-6-4-12-32(21)25(35)20(27)15-23(33)34/h7-8,13-14,18,20-21H,2-6,9-12,15,27H2,1H3,(H3,28,29)(H,33,34)