(2R,6S,12R,13S,15S)-16-azanyl-6-methyl-4-[(1R,2R)-2-methyl-1-oxidanyl-butyl]-12,13,15-tris(oxidanyl)hexadecane-1,2,3-tricarboxylic acid

Systemtic Name: (2R,6S,12R,13S,15S)-16-azanyl-6-methyl-4-[(1R,2R)-2-methyl-1-oxidanyl-butyl]-12,13,15-tris(oxidanyl)hexadecane-1,2,3-tricarboxylic acid Openeye Name: (2R,6S,12R,13S,15S)-16-amino-12,13,15-trihydroxy-4-[(1R,2R)-1-hydroxy-2-methyl-butyl]-6-methyl-hexadecane-1,2,3-tricarboxylic acid CAS Name: (2R,6S,12R,13S,15S)-16-amino-12,13,15-trihydroxy-4-[(1R,2R)-1-hydroxy-2-methylbutyl]-6-methylhexadecane-1,2,3-tricarboxylic acid IUPAC Name: (2R,6S,12R,13S,15S)-16-amino-12,13,15-trihydroxy-4-[(1R,2R)-1-hydroxy-2-methylbutyl]-6-methylhexadecane-1,2,3-tricarboxylic acid Traditional Name: (2R,6S,12R,13S,15S)-16-amino-12,13,15-trihydroxy-4-[(1R,2R)-1-hydroxy-2-methyl-butyl]-6-methyl-hexadecane-1,2,3-tricarboxylic acid Formula: C25H47NO10 MolecularWeight: 521.64138

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(CC(C)CCCCCC(C(CC(CN)O)O)O)C(C(CC(=O)O)C(=O)O)C(=O)O)O

Isomeric SMILES

CC[C@@H](C)[C@H](C(C[C@@H](C)CCCCC[C@H]([C@H](C[C@@H](CN)O)O)O)C([C@@H](CC(=O)O)C(=O)O)C(=O)O)O

InChI

InChI=1S/C25H47NO10/c1-4-15(3)23(32)17(22(25(35)36)18(24(33)34)12-21(30)31)10-14(2)8-6-5-7-9-19(28)20(29)11-16(27)13-26/h14-20,22-23,27-29,32H,4-13,26H2,1-3H3,(H,30,31)(H,33,34)(H,35,36)/t14-,15+,16-,17?,18+,19+,20-,22?,23+/m0/s1