Molecule

2-{[5-hydroxy-5-(hydroxymethyl)-3-[(2-hydroxypropyl)imino]-2-methoxycyclohex-1-en-1-yl]amino}acetic acid

AlkaPlorer ID: AK107663

Synonym: None

IUPAC Name: 2-[[(5R)-5-hydroxy-5-(hydroxymethyl)-3-[[(2S)-2-hydroxypropyl]amino]-2-methoxycyclohex-2-en-1-ylidene]amino]acetic acid

SMILES: COC1=C(NCC(=O)O)C[C@@](O)(CO)CC1=NC[C@H](C)O

InChI: InChI=1S/C13H22N2O6/c1-8(17)5-14-9-3-13(20,7-16)4-10(12(9)21-2)15-6-11(18)19/h8,15-17,20H,3-7H2,1-2H3,(H,18,19)/t8-,13+/m0/s1

InChIKey: KQMSOYQGGOVLMM-ISVAXAHUSA-N

LOTUS: LTS0275036

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Aplysia californica	Aplysia	Aplysiidae	Aplysiida	Gastropoda	Mollusca	Metazoa	Eukaryota

Molecule Weight: 302.327

TPSA？: 131.61

MolLogP？: -1.142399999999999

Number of H-Donors: 5

Number of H-Acceptors: 7

RingCount: 1

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi