5-hydroxy-4-{[5-hydroxy-5-(hydroxymethyl)-2-methoxy-3-oxocyclohex-1-en-1-yl]amino}pentanoic acid

AlkaPlorer ID: AK334535

Synonym: None

IUPAC Name: (4S)-5-hydroxy-4-[[(5S)-5-hydroxy-5-(hydroxymethyl)-2-methoxy-3-oxocyclohexen-1-yl]amino]pentanoic acid

Structure

SMILES: COC1=C(N[C@H](CO)CCC(=O)O)C[C@@](O)(CO)CC1=O

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InChI: InChI=1S/C13H21NO7/c1-21-12-9(4-13(20,7-16)5-10(12)17)14-8(6-15)2-3-11(18)19/h8,14-16,20H,2-7H2,1H3,(H,18,19)/t8-,13-/m0/s1

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InChIKey: AOLLRBVQJZTTPF-SDBXPKJASA-N

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Source

Properties Information

Molecule Weight: 303.31100000000004

TPSA: 136.32

MolLogP: -1.2540000000000004

Number of H-Donors: 5

Number of H-Acceptors: 7

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information