2-[4-azanyl-1-[bis[4-azanyl-4-[1,4-bis(oxidanyl)-1,4-bis(oxidanylidene)butan-2-yl]-2-oxidanyl-dodecyl]amino]-2-oxidanyl-dodecan-4-yl]butanedioic acid

Systemtic Name: 2-[4-azanyl-1-[bis[4-azanyl-4-[1,4-bis(oxidanyl)-1,4-bis(oxidanylidene)butan-2-yl]-2-oxidanyl-dodecyl]amino]-2-oxidanyl-dodecan-4-yl]butanedioic acid Openeye Name: 2-[1-amino-1-[3-[bis[4-amino-4-(1-carboxy-3-hydroxy-3-oxo-propyl)-2-hydroxy-dodecyl]amino]-2-hydroxy-propyl]nonyl]butanedioic acid CAS Name: 2-[4-amino-1-[bis[4-amino-4-(1,4-dihydroxy-1,4-dioxobutan-2-yl)-2-hydroxydodecyl]amino]-2-hydroxydodecan-4-yl]butanedioic acid IUPAC Name: 2-[4-amino-1-[bis[4-amino-4-(1,4-dihydroxy-1,4-dioxobutan-2-yl)-2-hydroxydodecyl]amino]-2-hydroxydodecan-4-yl]butanedioic acid Traditional Name: 2-[1-amino-1-[3-[bis[4-amino-4-(1-carboxy-3-hydroxy-3-keto-propyl)-2-hydroxy-dodecyl]amino]-2-hydroxy-propyl]nonyl]succinic acid Formula: C48H90N4O15 MolecularWeight: 963.246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C48H90N4O15/c1-4-7-10-13-16-19-22-46(49,37(43(62)63)25-40(56)57)28-34(53)31-52(32-35(54)29-47(50,23-20-17-14-11-8-5-2)38(44(64)65)26-41(58)59)33-36(55)30-48(51,24-21-18-15-12-9-6-3)39(45(66)67)27-42(60)61/h34-39,53-55H,4-33,49-51H2,1-3H3,(H,56,57)(H,58,59)(H,60,61)(H,62,63)(H,64,65)(H,66,67)