2-[2-[(9R,10R)-18-azanyl-10-(3-carboxy-5-oxidanyl-5-oxidanylidene-pentanoyl)oxy-octadecan-9-yl]oxy-2-oxidanylidene-ethyl]butanedioic acid

Systemtic Name: 2-[2-[(9R,10R)-18-azanyl-10-(3-carboxy-5-oxidanyl-5-oxidanylidene-pentanoyl)oxy-octadecan-9-yl]oxy-2-oxidanylidene-ethyl]butanedioic acid Openeye Name: 2-[2-[(1R,2R)-10-amino-2-(3-carboxy-5-hydroxy-5-oxo-pentanoyl)oxy-1-octyl-decoxy]-2-oxo-ethyl]butanedioic acid CAS Name: 2-[2-[(9R,10R)-18-amino-10-(3-carboxy-5-hydroxy-1,5-dioxopentoxy)octadecan-9-yl]oxy-2-oxoethyl]butanedioic acid IUPAC Name: 2-[2-[(9R,10R)-18-amino-10-(3-carboxy-5-hydroxy-5-oxopentanoyl)oxyoctadecan-9-yl]oxy-2-oxoethyl]butanedioic acid Traditional Name: 2-[2-[(1R,2R)-10-amino-2-(3-carboxy-5-hydroxy-5-keto-pentanoyl)oxy-1-octyl-decoxy]-2-keto-ethyl]succinic acid Formula: C30H51NO12 MolecularWeight: 617.72544

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C(CCCCCCCCN)OC(=O)CC(CC(=O)O)C(=O)O)OC(=O)CC(CC(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCC[C@H]([C@@H](CCCCCCCCN)OC(=O)CC(CC(=O)O)C(=O)O)OC(=O)CC(CC(=O)O)C(=O)O

InChI

InChI=1S/C30H51NO12/c1-2-3-4-5-8-11-14-23(42-27(36)19-21(29(38)39)17-25(32)33)24(15-12-9-6-7-10-13-16-31)43-28(37)20-22(30(40)41)18-26(34)35/h21-24H,2-20,31H2,1H3,(H,32,33)(H,34,35)(H,38,39)(H,40,41)/t21?,22?,23-,24-/m1/s1