5-azanyl-2-[3-[10-(2-hexylcyclopropyl)-2-oxidanyl-decanoyl]oxyhexadecanoylamino]pentanoic acid

Systemtic Name: 5-azanyl-2-[3-[10-(2-hexylcyclopropyl)-2-oxidanyl-decanoyl]oxyhexadecanoylamino]pentanoic acid Openeye Name: 5-amino-2-[3-[10-(2-hexylcyclopropyl)-2-hydroxy-decanoyl]oxyhexadecanoylamino]pentanoic acid CAS Name: 5-amino-2-[[3-[10-(2-hexylcyclopropyl)-2-hydroxy-1-oxodecoxy]-1-oxohexadecyl]amino]pentanoic acid IUPAC Name: 5-amino-2-[3-[10-(2-hexylcyclopropyl)-2-hydroxydecanoyl]oxyhexadecanoylamino]pentanoic acid Traditional Name: 5-amino-2-[3-[10-(2-hexylcyclopropyl)-2-hydroxy-decanoyl]oxyhexadecanoylamino]valeric acid Formula: C40H76N2O6 MolecularWeight: 681.04124

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(CC(=O)NC(CCCN)C(=O)O)OC(=O)C(CCCCCCCCC1CC1CCCCCC)O

Isomeric SMILES

CCCCCCCCCCCCCC(CC(=O)NC(CCCN)C(=O)O)OC(=O)C(CCCCCCCCC1CC1CCCCCC)O

InChI

InChI=1S/C40H76N2O6/c1-3-5-7-9-10-11-12-13-14-18-22-27-35(32-38(44)42-36(39(45)46)28-24-30-41)48-40(47)37(43)29-23-19-16-15-17-21-26-34-31-33(34)25-20-8-6-4-2/h33-37,43H,3-32,41H2,1-2H3,(H,42,44)(H,45,46)