2-[1-[(4-azanyl-4-oxidanylidene-butanoyl)amino]-3-oxidanylidene-3-(pentylamino)propyl]-2-phenoxy-propanedioic acid

Systemtic Name: 2-[1-[(4-azanyl-4-oxidanylidene-butanoyl)amino]-3-oxidanylidene-3-(pentylamino)propyl]-2-phenoxy-propanedioic acid Openeye Name: 2-[1-[(4-amino-4-oxo-butanoyl)amino]-3-oxo-3-(pentylamino)propyl]-2-phenoxy-propanedioic acid CAS Name: 2-[1-[(4-amino-1,4-dioxobutyl)amino]-3-oxo-3-(pentylamino)propyl]-2-phenoxypropanedioic acid IUPAC Name: 2-[1-[(4-amino-4-oxobutanoyl)amino]-3-oxo-3-(pentylamino)propyl]-2-phenoxypropanedioic acid Traditional Name: 2-[1-[(4-amino-4-keto-butanoyl)amino]-3-(amylamino)-3-keto-propyl]-2-phenoxy-malonic acid Formula: C21H29N3O8 MolecularWeight: 451.47026

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)CC(C(C(=O)O)(C(=O)O)OC1=CC=CC=C1)NC(=O)CCC(=O)N

Isomeric SMILES

CCCCCNC(=O)CC(C(C(=O)O)(C(=O)O)OC1=CC=CC=C1)NC(=O)CCC(=O)N

InChI

InChI=1S/C21H29N3O8/c1-2-3-7-12-23-18(27)13-15(24-17(26)11-10-16(22)25)21(19(28)29,20(30)31)32-14-8-5-4-6-9-14/h4-6,8-9,15H,2-3,7,10-13H2,1H3,(H2,22,25)(H,23,27)(H,24,26)(H,28,29)(H,30,31)