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

Systemtic Name: 3-[[2-[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxidanylidene-quinoxalin-6-yl]-2-methyl-3-oxidanylidene-3-pyrrolidin-1-yl-propyl]-methyl-amino]-3-oxidanylidene-propanoic acid Openeye Name: 3-[[2-[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxo-quinoxalin-6-yl]-2-methyl-3-oxo-3-pyrrolidin-1-yl-propyl]-methyl-amino]-3-oxo-propanoic acid CAS Name: 3-[[2-[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxo-6-quinoxalinyl]-2-methyl-3-oxo-3-(1-pyrrolidinyl)propyl]-methylamino]-3-oxopropanoic acid IUPAC Name: 3-[[2-[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxoquinoxalin-6-yl]-2-methyl-3-oxo-3-pyrrolidin-1-ylpropyl]-methylamino]-3-oxopropanoic acid Traditional Name: 3-[[2-[3-(4-amidinobenzyl)-2-keto-1-methyl-quinoxalin-6-yl]-3-keto-2-methyl-3-pyrrolidino-propyl]-methyl-amino]-3-keto-propionic acid Formula: C29H34N6O5 MolecularWeight: 546.61746

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN(C)C(=O)CC(=O)O)(C1=CC2=C(C=C1)N(C(=O)C(=N2)CC3=CC=C(C=C3)C(=N)N)C)C(=O)N4CCCC4

Isomeric SMILES

CC(CN(C)C(=O)CC(=O)O)(C1=CC2=C(C=C1)N(C(=O)C(=N2)CC3=CC=C(C=C3)C(=N)N)C)C(=O)N4CCCC4

InChI

InChI=1S/C29H34N6O5/c1-29(28(40)35-12-4-5-13-35,17-33(2)24(36)16-25(37)38)20-10-11-23-21(15-20)32-22(27(39)34(23)3)14-18-6-8-19(9-7-18)26(30)31/h6-11,15H,4-5,12-14,16-17H2,1-3H3,(H3,30,31)(H,37,38)