3-[[2-[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxidanylidene-quinoxalin-6-yl]-3-oxidanylidene-3-pyrrolidin-1-yl-propyl]amino]-3-oxidanylidene-propanoic acid

Systemtic Name: 3-[[2-[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxidanylidene-quinoxalin-6-yl]-3-oxidanylidene-3-pyrrolidin-1-yl-propyl]amino]-3-oxidanylidene-propanoic acid Openeye Name: 3-[[2-[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxo-quinoxalin-6-yl]-3-oxo-3-pyrrolidin-1-yl-propyl]amino]-3-oxo-propanoic acid CAS Name: 3-[[2-[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxo-6-quinoxalinyl]-3-oxo-3-(1-pyrrolidinyl)propyl]amino]-3-oxopropanoic acid IUPAC Name: 3-[[2-[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxoquinoxalin-6-yl]-3-oxo-3-pyrrolidin-1-ylpropyl]amino]-3-oxopropanoic acid Traditional Name: 3-[[2-[3-(4-amidinobenzyl)-2-keto-1-methyl-quinoxalin-6-yl]-3-keto-3-pyrrolidino-propyl]amino]-3-keto-propionic acid Formula: C27H30N6O5 MolecularWeight: 518.5643

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C27H30N6O5/c1-32-22-9-8-18(19(15-30-23(34)14-24(35)36)26(37)33-10-2-3-11-33)13-20(22)31-21(27(32)38)12-16-4-6-17(7-5-16)25(28)29/h4-9,13,19H,2-3,10-12,14-15H2,1H3,(H3,28,29)(H,30,34)(H,35,36)