2-[4-[2-[[2-(carboxymethylamino)-2-oxidanylidene-ethyl]carbamoylamino]-3-oxidanylidene-3-(pentylamino)propyl]phenoxy]propanedioic acid

Systemtic Name: 2-[4-[2-[[2-(carboxymethylamino)-2-oxidanylidene-ethyl]carbamoylamino]-3-oxidanylidene-3-(pentylamino)propyl]phenoxy]propanedioic acid Openeye Name: 2-[4-[2-[[2-(carboxymethylamino)-2-oxo-ethyl]carbamoylamino]-3-oxo-3-(pentylamino)propyl]phenoxy]propanedioic acid CAS Name: 2-[4-[2-[[[[2-(carboxymethylamino)-2-oxoethyl]amino]-oxomethyl]amino]-3-oxo-3-(pentylamino)propyl]phenoxy]propanedioic acid IUPAC Name: 2-[4-[2-[[2-(carboxymethylamino)-2-oxoethyl]carbamoylamino]-3-oxo-3-(pentylamino)propyl]phenoxy]propanedioic acid Traditional Name: 2-[4-[3-(amylamino)-2-[[2-(carboxymethylamino)-2-keto-ethyl]carbamoylamino]-3-keto-propyl]phenoxy]malonic acid Formula: C22H30N4O10 MolecularWeight: 510.4944

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)C(CC1=CC=C(C=C1)OC(C(=O)O)C(=O)O)NC(=O)NCC(=O)NCC(=O)O

Isomeric SMILES

CCCCCNC(=O)C(CC1=CC=C(C=C1)OC(C(=O)O)C(=O)O)NC(=O)NCC(=O)NCC(=O)O

InChI

InChI=1S/C22H30N4O10/c1-2-3-4-9-23-19(30)15(26-22(35)25-11-16(27)24-12-17(28)29)10-13-5-7-14(8-6-13)36-18(20(31)32)21(33)34/h5-8,15,18H,2-4,9-12H2,1H3,(H,23,30)(H,24,27)(H,28,29)(H,31,32)(H,33,34)(H2,25,26,35)