3-azanyl-5-(6-carbamimidoyl-1-ethyl-indol-2-yl)-3-methanoyl-2-[2-(oxidanylidenemethylidene)pyrrolidin-1-yl]-2-pyrrolidin-1-yl-pentanoic acid

Systemtic Name: 3-azanyl-5-(6-carbamimidoyl-1-ethyl-indol-2-yl)-3-methanoyl-2-[2-(oxidanylidenemethylidene)pyrrolidin-1-yl]-2-pyrrolidin-1-yl-pentanoic acid Openeye Name: 3-amino-5-(6-carbamimidoyl-1-ethyl-indol-2-yl)-3-formyl-2-[2-(oxomethylene)pyrrolidin-1-yl]-2-pyrrolidin-1-yl-pentanoic acid CAS Name: 3-amino-5-(6-carbamimidoyl-1-ethyl-2-indolyl)-3-formyl-2-[2-(oxomethylidene)-1-pyrrolidinyl]-2-(1-pyrrolidinyl)pentanoic acid IUPAC Name: 3-amino-5-(6-carbamimidoyl-1-ethylindol-2-yl)-3-formyl-2-[2-(oxomethylidene)pyrrolidin-1-yl]-2-pyrrolidin-1-ylpentanoic acid Traditional Name: 5-(6-amidino-1-ethyl-indol-2-yl)-3-amino-3-formyl-2-[2-(ketomethylene)pyrrolidino]-2-pyrrolidino-valeric acid Formula: C26H34N6O4 MolecularWeight: 494.58596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC2=C1C=C(C=C2)C(=N)N)CCC(C=O)(C(C(=O)O)(N3CCCC3)N4CCCC4=C=O)N

Isomeric SMILES

CCN1C(=CC2=C1C=C(C=C2)C(=N)N)CCC(C=O)(C(C(=O)O)(N3CCCC3)N4CCCC4=C=O)N

InChI

InChI=1S/C26H34N6O4/c1-2-31-20(14-18-7-8-19(23(27)28)15-22(18)31)9-10-25(29,17-34)26(24(35)36,30-11-3-4-12-30)32-13-5-6-21(32)16-33/h7-8,14-15,17H,2-6,9-13,29H2,1H3,(H3,27,28)(H,35,36)