4-azanyl-4-[3-[bis[4-azanyl-4-(2-carboxyethyl)-2-oxidanyl-dodecyl]amino]-2-oxidanyl-propyl]dodecanoic acid

Systemtic Name: 4-azanyl-4-[3-[bis[4-azanyl-4-(2-carboxyethyl)-2-oxidanyl-dodecyl]amino]-2-oxidanyl-propyl]dodecanoic acid Openeye Name: 4-amino-4-[3-[bis[4-amino-4-(2-carboxyethyl)-2-hydroxy-dodecyl]amino]-2-hydroxy-propyl]dodecanoic acid CAS Name: 4-amino-4-[3-[bis[4-amino-4-(2-carboxyethyl)-2-hydroxydodecyl]amino]-2-hydroxypropyl]dodecanoic acid IUPAC Name: 4-amino-4-[3-[bis[4-amino-4-(2-carboxyethyl)-2-hydroxydodecyl]amino]-2-hydroxypropyl]dodecanoic acid Traditional Name: 4-amino-4-[3-[bis[4-amino-4-(2-carboxyethyl)-2-hydroxy-dodecyl]amino]-2-hydroxy-propyl]lauric acid Formula: C45H90N4O9 MolecularWeight: 831.2175

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CCC(=O)O)(CC(CN(CC(CC(CCCCCCCC)(CCC(=O)O)N)O)CC(CC(CCCCCCCC)(CCC(=O)O)N)O)O)N

Isomeric SMILES

CCCCCCCCC(CCC(=O)O)(CC(CN(CC(CC(CCCCCCCC)(CCC(=O)O)N)O)CC(CC(CCCCCCCC)(CCC(=O)O)N)O)O)N

InChI

InChI=1S/C45H90N4O9/c1-4-7-10-13-16-19-25-43(46,28-22-40(53)54)31-37(50)34-49(35-38(51)32-44(47,29-23-41(55)56)26-20-17-14-11-8-5-2)36-39(52)33-45(48,30-24-42(57)58)27-21-18-15-12-9-6-3/h37-39,50-52H,4-36,46-48H2,1-3H3,(H,53,54)(H,55,56)(H,57,58)