5-[5-carbamimidoyl-2-[3-oxidanyl-2,3-bis(oxidanylidene)propyl]phenoxy]-4-[(5-phenyl-2,3-dihydro-1-benzofuran-7-yl)carbonylamino]pentanoic acid

Systemtic Name: 5-[5-carbamimidoyl-2-[3-oxidanyl-2,3-bis(oxidanylidene)propyl]phenoxy]-4-[(5-phenyl-2,3-dihydro-1-benzofuran-7-yl)carbonylamino]pentanoic acid Openeye Name: 5-[5-carbamimidoyl-2-(3-hydroxy-2,3-dioxo-propyl)phenoxy]-4-[(5-phenyl-2,3-dihydrobenzofuran-7-carbonyl)amino]pentanoic acid CAS Name: 5-[5-carbamimidoyl-2-(3-hydroxy-2,3-dioxopropyl)phenoxy]-4-[[oxo-(5-phenyl-2,3-dihydrobenzofuran-7-yl)methyl]amino]pentanoic acid IUPAC Name: 5-[5-carbamimidoyl-2-(3-hydroxy-2,3-dioxopropyl)phenoxy]-4-[(5-phenyl-2,3-dihydro-1-benzofuran-7-carbonyl)amino]pentanoic acid Traditional Name: 5-[5-amidino-2-(3-hydroxy-2,3-diketo-propyl)phenoxy]-4-[(5-phenylcoumaran-7-carbonyl)amino]valeric acid Formula: C30H29N3O8 MolecularWeight: 559.56656

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C21)C3=CC=CC=C3)C(=O)NC(CCC(=O)O)COC4=C(C=CC(=C4)C(=N)N)CC(=O)C(=O)O

Isomeric SMILES

C1COC2=C(C=C(C=C21)C3=CC=CC=C3)C(=O)NC(CCC(=O)O)COC4=C(C=CC(=C4)C(=N)N)CC(=O)C(=O)O

InChI

InChI=1S/C30H29N3O8/c31-28(32)20-7-6-18(14-24(34)30(38)39)25(15-20)41-16-22(8-9-26(35)36)33-29(37)23-13-21(17-4-2-1-3-5-17)12-19-10-11-40-27(19)23/h1-7,12-13,15,22H,8-11,14,16H2,(H3,31,32)(H,33,37)(H,35,36)(H,38,39)