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

Systemtic Name: 2-azanyl-2-[2-(6-carbamimidoyl-1-ethyl-indol-2-yl)ethyl]-4-oxidanylidene-3-phenyl-4-pyrrolidin-1-yl-butanoic acid Openeye Name: 2-amino-2-[2-(6-carbamimidoyl-1-ethyl-indol-2-yl)ethyl]-4-oxo-3-phenyl-4-pyrrolidin-1-yl-butanoic acid CAS Name: 2-amino-2-[2-(6-carbamimidoyl-1-ethyl-2-indolyl)ethyl]-4-oxo-3-phenyl-4-(1-pyrrolidinyl)butanoic acid IUPAC Name: 2-amino-2-[2-(6-carbamimidoyl-1-ethylindol-2-yl)ethyl]-4-oxo-3-phenyl-4-pyrrolidin-1-ylbutanoic acid Traditional Name: 2-[2-(6-amidino-1-ethyl-indol-2-yl)ethyl]-2-amino-4-keto-3-phenyl-4-pyrrolidino-butyric acid Formula: C27H33N5O3 MolecularWeight: 475.58262

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC2=C1C=C(C=C2)C(=N)N)CCC(C(C3=CC=CC=C3)C(=O)N4CCCC4)(C(=O)O)N

Isomeric SMILES

CCN1C(=CC2=C1C=C(C=C2)C(=N)N)CCC(C(C3=CC=CC=C3)C(=O)N4CCCC4)(C(=O)O)N

InChI

InChI=1S/C27H33N5O3/c1-2-32-21(16-19-10-11-20(24(28)29)17-22(19)32)12-13-27(30,26(34)35)23(18-8-4-3-5-9-18)25(33)31-14-6-7-15-31/h3-5,8-11,16-17,23H,2,6-7,12-15,30H2,1H3,(H3,28,29)(H,34,35)