2-{[(2S)-5-amino-2-[(3S)-3-hydroxy-14-methylpentadecanamido]pentanoyl]oxy}ethyl (2R)-2-hydroxy-13-methyltetradecanoate

AlkaPlorer ID: AK264324

Synonym: None

IUPAC Name: 2-[(2S)-5-amino-2-[[(3S)-3-hydroxy-14-methylpentadecanoyl]amino]pentanoyl]oxyethyl (2R)-2-hydroxy-13-methyltetradecanoate

Structure

SMILES: CC(C)CCCCCCCCCC[C@H](O)CC(O)=N[C@@H](CCCN)C(=O)OCCOC(=O)[C@H](O)CCCCCCCCCCC(C)C

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InChI: InChI=1S/C38H74N2O7/c1-31(2)22-17-13-9-5-7-11-15-19-24-33(41)30-36(43)40-34(25-21-27-39)37(44)46-28-29-47-38(45)35(42)26-20-16-12-8-6-10-14-18-23-32(3)4/h31-35,41-42H,5-30,39H2,1-4H3,(H,40,43)/t33-,34-,35+/m0/s1

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InChIKey: UKPKNTKIPGEXJS-PUPDPRJKSA-N

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Properties Information

Molecule Weight: 671.0169999999997

TPSA: 151.67

MolLogP: 8.362700000000007

Number of H-Donors: 4

Number of H-Acceptors: 8

RingCount: 0

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information