Isodomoic acid A

(2S,3S,4S)-4-[(2Z,5E)-6-carboxyhepta-2,5-dien-2-yl]-3-(carboxymethyl)pyrrolidine-2-carboxylic acid

Also Known As: Isodomoic acid A|Isodomoic acid B|(-)-Isodomoic acid B|DDAJBUQQWFXHDM-UUYKTWPLSA-|(2S,3S,4S)-4-[(2Z,5E)-6-carboxyhepta-2,5-dien-2-yl]-3-(carboxymethyl)pyrrolidine-2-carboxylic Acid|(3S,4S)-4-[(2Z,5E)-6-Carboxyhepta-2,5-dien-2-yl]-3-(carboxymethyl)-L-proline|3-Pyrrolidineacetic acid, 2-carboxy-4-((1Z,4E)-5-carboxy-1-methyl-1,4-hexadienyl)-, (2S,3S,4S)-|(2S,3S,4S)-3-(carboxymethyl)-4-[(2Z,5E)-7-hydroxy-6-methyl-7-oxohepta-2,5-dien-2-yl]pyrrolidine-2-carboxylic acid|(2S,3S,4S)-4-((2Z,5E)-6-carboxyhepta-2,5-dien-2-yl)-3-(carboxymethyl)pyrrolidine-2-carboxylic acid

Molecular Formula	C15H21NO6
Molecular Weight	311.1369 g/mol
LogP	1.1172
Topological Polar Surface Area	123.93 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	4
Rotatable Bonds	7
Exact Mass	311.1369
Monoisotopic Mass	311.1369
Heavy Atoms	22
Complexity	522.12573

Chemical Identifiers

CAS Number	101899-44-9
SMILES	C/C(=C/C/C=C(\C)/C(=O)O)/[C@H]1CN[C@@H]([C@H]1CC(=O)O)C(=O)O