2-[1-[(4-carboxyphenyl)carbamoylamino]-3-oxidanylidene-3-(pentylamino)propyl]-2-phenoxy-propanedioic acid

Systemtic Name: 2-[1-[(4-carboxyphenyl)carbamoylamino]-3-oxidanylidene-3-(pentylamino)propyl]-2-phenoxy-propanedioic acid Openeye Name: 2-[1-[(4-carboxyphenyl)carbamoylamino]-3-oxo-3-(pentylamino)propyl]-2-phenoxy-propanedioic acid CAS Name: 2-[1-[[(4-carboxyanilino)-oxomethyl]amino]-3-oxo-3-(pentylamino)propyl]-2-phenoxypropanedioic acid IUPAC Name: 2-[1-[(4-carboxyphenyl)carbamoylamino]-3-oxo-3-(pentylamino)propyl]-2-phenoxypropanedioic acid Traditional Name: 2-[3-(amylamino)-1-[(4-carboxyphenyl)carbamoylamino]-3-keto-propyl]-2-phenoxy-malonic acid Formula: C25H29N3O9 MolecularWeight: 515.51246

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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)NC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CCCCCNC(=O)CC(C(C(=O)O)(C(=O)O)OC1=CC=CC=C1)NC(=O)NC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C25H29N3O9/c1-2-3-7-14-26-20(29)15-19(28-24(36)27-17-12-10-16(11-13-17)21(30)31)25(22(32)33,23(34)35)37-18-8-5-4-6-9-18/h4-6,8-13,19H,2-3,7,14-15H2,1H3,(H,26,29)(H,30,31)(H,32,33)(H,34,35)(H2,27,28,36)