4-[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxidanylidene-quinoxalin-6-yl]-5-oxidanylidene-5-pyrrolidin-1-yl-pentanoic acid

Systemtic Name: 4-[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxidanylidene-quinoxalin-6-yl]-5-oxidanylidene-5-pyrrolidin-1-yl-pentanoic acid Openeye Name: 4-[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxo-quinoxalin-6-yl]-5-oxo-5-pyrrolidin-1-yl-pentanoic acid CAS Name: 4-[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxo-6-quinoxalinyl]-5-oxo-5-(1-pyrrolidinyl)pentanoic acid IUPAC Name: 4-[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxoquinoxalin-6-yl]-5-oxo-5-pyrrolidin-1-ylpentanoic acid Traditional Name: 4-[3-(4-amidinobenzyl)-2-keto-1-methyl-quinoxalin-6-yl]-5-keto-5-pyrrolidino-valeric acid Formula: C26H29N5O4 MolecularWeight: 475.53956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(CCC(=O)O)C(=O)N3CCCC3)N=C(C1=O)CC4=CC=C(C=C4)C(=N)N

Isomeric SMILES

CN1C2=C(C=C(C=C2)C(CCC(=O)O)C(=O)N3CCCC3)N=C(C1=O)CC4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C26H29N5O4/c1-30-22-10-8-18(19(9-11-23(32)33)25(34)31-12-2-3-13-31)15-20(22)29-21(26(30)35)14-16-4-6-17(7-5-16)24(27)28/h4-8,10,15,19H,2-3,9,11-14H2,1H3,(H3,27,28)(H,32,33)