(2-pyrrolidin-1-ylcarbonylpyrrolidin-1-yl) 4-(6-carbamimidoyl-1-ethyl-indol-2-yl)-2-phenyl-butanoate

Systemtic Name: (2-pyrrolidin-1-ylcarbonylpyrrolidin-1-yl) 4-(6-carbamimidoyl-1-ethyl-indol-2-yl)-2-phenyl-butanoate Openeye Name: [2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl] 4-(6-carbamimidoyl-1-ethyl-indol-2-yl)-2-phenyl-butanoate CAS Name: 4-(6-carbamimidoyl-1-ethyl-2-indolyl)-2-phenylbutanoic acid [2-[oxo(1-pyrrolidinyl)methyl]-1-pyrrolidinyl] ester IUPAC Name: [2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl] 4-(6-carbamimidoyl-1-ethylindol-2-yl)-2-phenylbutanoate Traditional Name: 4-(6-amidino-1-ethyl-indol-2-yl)-2-phenyl-butyric acid [2-(pyrrolidine-1-carbonyl)pyrrolidino] ester Formula: C30H37N5O3 MolecularWeight: 515.64648

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC2=C1C=C(C=C2)C(=N)N)CCC(C3=CC=CC=C3)C(=O)ON4CCCC4C(=O)N5CCCC5

Isomeric SMILES

CCN1C(=CC2=C1C=C(C=C2)C(=N)N)CCC(C3=CC=CC=C3)C(=O)ON4CCCC4C(=O)N5CCCC5

InChI

InChI=1S/C30H37N5O3/c1-2-34-24(19-22-12-13-23(28(31)32)20-27(22)34)14-15-25(21-9-4-3-5-10-21)30(37)38-35-18-8-11-26(35)29(36)33-16-6-7-17-33/h3-5,9-10,12-13,19-20,25-26H,2,6-8,11,14-18H2,1H3,(H3,31,32)