(3S,5R)-3-[(5-azanyl-3-methyl-7-oxidanyl-7-oxidanylidene-heptyl)-methyl-amino]-5-methyl-octanoic acid

Systemtic Name: (3S,5R)-3-[(5-azanyl-3-methyl-7-oxidanyl-7-oxidanylidene-heptyl)-methyl-amino]-5-methyl-octanoic acid Openeye Name: (3S,5R)-3-[(5-amino-7-hydroxy-3-methyl-7-oxo-heptyl)-methyl-amino]-5-methyl-octanoic acid CAS Name: (3S,5R)-3-[(5-amino-7-hydroxy-3-methyl-7-oxoheptyl)-methylamino]-5-methyloctanoic acid IUPAC Name: (3S,5R)-3-[(5-amino-7-hydroxy-3-methyl-7-oxoheptyl)-methylamino]-5-methyloctanoic acid Traditional Name: (3S,5R)-3-[(5-amino-7-hydroxy-7-keto-3-methyl-heptyl)-methyl-amino]-5-methyl-caprylic acid Formula: C18H36N2O4 MolecularWeight: 344.48944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)CC(CC(=O)O)N(C)CCC(C)CC(CC(=O)O)N

Isomeric SMILES

CCC[C@@H](C)C[C@@H](CC(=O)O)N(C)CCC(C)CC(CC(=O)O)N

InChI

InChI=1S/C18H36N2O4/c1-5-6-13(2)10-16(12-18(23)24)20(4)8-7-14(3)9-15(19)11-17(21)22/h13-16H,5-12,19H2,1-4H3,(H,21,22)(H,23,24)/t13-,14?,15?,16+/m1/s1