3,7-bis(azanyl)-3,7-bis[2-[2,3-bis(oxidanyl)propylamino]-2-oxidanylidene-ethyl]-5-(carboxymethylamino)nonanedioic acid

Systemtic Name: 3,7-bis(azanyl)-3,7-bis[2-[2,3-bis(oxidanyl)propylamino]-2-oxidanylidene-ethyl]-5-(carboxymethylamino)nonanedioic acid Openeye Name: 3,7-diamino-5-(carboxymethylamino)-3,7-bis[2-(2,3-dihydroxypropylamino)-2-oxo-ethyl]nonanedioic acid CAS Name: 3,7-diamino-5-(carboxymethylamino)-3,7-bis[2-(2,3-dihydroxypropylamino)-2-oxoethyl]nonanedioic acid IUPAC Name: 3,7-diamino-5-(carboxymethylamino)-3,7-bis[2-(2,3-dihydroxypropylamino)-2-oxoethyl]nonanedioic acid Traditional Name: 3,7-diamino-5-(carboxymethylamino)-3,7-bis[2-(glycerylamino)-2-keto-ethyl]azelaic acid Formula: C21H39N5O12 MolecularWeight: 553.56066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C(C(CC(CC(=O)NCC(CO)O)(CC(=O)O)N)NCC(=O)O)C(CC(=O)NCC(CO)O)(CC(=O)O)N

Isomeric SMILES

C(C(CC(CC(=O)NCC(CO)O)(CC(=O)O)N)NCC(=O)O)C(CC(=O)NCC(CO)O)(CC(=O)O)N

InChI

InChI=1S/C21H39N5O12/c22-20(5-17(33)34,3-15(31)25-7-13(29)10-27)1-12(24-9-19(37)38)2-21(23,6-18(35)36)4-16(32)26-8-14(30)11-28/h12-14,24,27-30H,1-11,22-23H2,(H,25,31)(H,26,32)(H,33,34)(H,35,36)(H,37,38)