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

Systemtic Name: 2-[2-(6-carbamimidoyl-1-ethyl-indol-2-yl)ethyl]-2-(cyclopropylamino)-3-methyl-4-oxidanylidene-4-pyrrolidin-1-yl-butanoic acid Openeye Name: 2-[2-(6-carbamimidoyl-1-ethyl-indol-2-yl)ethyl]-2-(cyclopropylamino)-3-methyl-4-oxo-4-pyrrolidin-1-yl-butanoic acid CAS Name: 2-[2-(6-carbamimidoyl-1-ethyl-2-indolyl)ethyl]-2-(cyclopropylamino)-3-methyl-4-oxo-4-(1-pyrrolidinyl)butanoic acid IUPAC Name: 2-[2-(6-carbamimidoyl-1-ethylindol-2-yl)ethyl]-2-(cyclopropylamino)-3-methyl-4-oxo-4-pyrrolidin-1-ylbutanoic acid Traditional Name: 2-[2-(6-amidino-1-ethyl-indol-2-yl)ethyl]-2-(cyclopropylamino)-4-keto-3-methyl-4-pyrrolidino-butyric acid Formula: C25H35N5O3 MolecularWeight: 453.5771

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC2=C1C=C(C=C2)C(=N)N)CCC(C(C)C(=O)N3CCCC3)(C(=O)O)NC4CC4

Isomeric SMILES

CCN1C(=CC2=C1C=C(C=C2)C(=N)N)CCC(C(C)C(=O)N3CCCC3)(C(=O)O)NC4CC4

InChI

InChI=1S/C25H35N5O3/c1-3-30-20(14-17-6-7-18(22(26)27)15-21(17)30)10-11-25(24(32)33,28-19-8-9-19)16(2)23(31)29-12-4-5-13-29/h6-7,14-16,19,28H,3-5,8-13H2,1-2H3,(H3,26,27)(H,32,33)