2-[2-[2-[2-(6-carbamimidoyl-1-ethyl-indol-2-yl)ethyl]pyrrolidin-1-yl]carbonylpyrrolidin-1-yl]butanedioic acid

Systemtic Name: 2-[2-[2-[2-(6-carbamimidoyl-1-ethyl-indol-2-yl)ethyl]pyrrolidin-1-yl]carbonylpyrrolidin-1-yl]butanedioic acid Openeye Name: 2-[2-[2-[2-(6-carbamimidoyl-1-ethyl-indol-2-yl)ethyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]butanedioic acid CAS Name: 2-[2-[[2-[2-(6-carbamimidoyl-1-ethyl-2-indolyl)ethyl]-1-pyrrolidinyl]-oxomethyl]-1-pyrrolidinyl]butanedioic acid IUPAC Name: 2-[2-[2-[2-(6-carbamimidoyl-1-ethylindol-2-yl)ethyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]butanedioic acid Traditional Name: 2-[2-[2-[2-(6-amidino-1-ethyl-indol-2-yl)ethyl]pyrrolidine-1-carbonyl]pyrrolidino]succinic acid Formula: C26H35N5O5 MolecularWeight: 497.5866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H35N5O5/c1-2-29-19(13-16-7-8-17(24(27)28)14-21(16)29)10-9-18-5-3-11-30(18)25(34)20-6-4-12-31(20)22(26(35)36)15-23(32)33/h7-8,13-14,18,20,22H,2-6,9-12,15H2,1H3,(H3,27,28)(H,32,33)(H,35,36)