3-azanyl-3-[3-[bis[4-azanyl-4-(carboxymethyl)-2-oxidanyl-dodecyl]amino]-2-oxidanyl-propyl]undecanoic acid

Systemtic Name: 3-azanyl-3-[3-[bis[4-azanyl-4-(carboxymethyl)-2-oxidanyl-dodecyl]amino]-2-oxidanyl-propyl]undecanoic acid Openeye Name: 3-amino-3-[3-[bis[4-amino-4-(carboxymethyl)-2-hydroxy-dodecyl]amino]-2-hydroxy-propyl]undecanoic acid CAS Name: 3-amino-3-[3-[bis[4-amino-4-(carboxymethyl)-2-hydroxydodecyl]amino]-2-hydroxypropyl]undecanoic acid IUPAC Name: 3-amino-3-[3-[bis[4-amino-4-(carboxymethyl)-2-hydroxydodecyl]amino]-2-hydroxypropyl]undecanoic acid Traditional Name: 3-amino-3-[3-[bis[4-amino-4-(carboxymethyl)-2-hydroxy-dodecyl]amino]-2-hydroxy-propyl]undecanoic acid Formula: C42H84N4O9 MolecularWeight: 789.13776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C42H84N4O9/c1-4-7-10-13-16-19-22-40(43,28-37(50)51)25-34(47)31-46(32-35(48)26-41(44,29-38(52)53)23-20-17-14-11-8-5-2)33-36(49)27-42(45,30-39(54)55)24-21-18-15-12-9-6-3/h34-36,47-49H,4-33,43-45H2,1-3H3,(H,50,51)(H,52,53)(H,54,55)