(3R)-4-[[(4R)-5-(6-azanylhexanoyloxy)-4-[[(3R)-3-oxidanyltetradecanoyl]amino]pentyl]amino]-3-[[(3R)-3-dodecanoyloxytetradecanoyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: (3R)-4-[[(4R)-5-(6-azanylhexanoyloxy)-4-[[(3R)-3-oxidanyltetradecanoyl]amino]pentyl]amino]-3-[[(3R)-3-dodecanoyloxytetradecanoyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: (3R)-4-[[(4R)-5-(6-aminohexanoyloxy)-4-[[(3R)-3-hydroxytetradecanoyl]amino]pentyl]amino]-3-[[(3R)-3-dodecanoyloxytetradecanoyl]amino]-4-oxo-butanoic acid CAS Name: (3R)-4-[[(4R)-5-(6-amino-1-oxohexoxy)-4-[[(3R)-3-hydroxy-1-oxotetradecyl]amino]pentyl]amino]-4-oxo-3-[[(3R)-1-oxo-3-(1-oxododecoxy)tetradecyl]amino]butanoic acid IUPAC Name: (3R)-4-[[(4R)-5-(6-aminohexanoyloxy)-4-[[(3R)-3-hydroxytetradecanoyl]amino]pentyl]amino]-3-[[(3R)-3-dodecanoyloxytetradecanoyl]amino]-4-oxobutanoic acid Traditional Name: (3R)-4-[[(4R)-5-(6-aminohexanoyloxy)-4-[[(3R)-3-hydroxytetradecanoyl]amino]pentyl]amino]-4-keto-3-[[(3R)-3-lauroyloxytetradecanoyl]amino]butyric acid Formula: C55H104N4O10 MolecularWeight: 981.43506

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(CC(=O)NC(CCCNC(=O)C(CC(=O)O)NC(=O)CC(CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)COC(=O)CCCCCN)O

Isomeric SMILES

CCCCCCCCCCC[C@H](CC(=O)N[C@H](CCCNC(=O)[C@@H](CC(=O)O)NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)COC(=O)CCCCCN)O

InChI

InChI=1S/C55H104N4O10/c1-4-7-10-13-16-19-22-25-29-36-47(60)42-50(61)58-46(45-68-53(65)38-32-28-33-40-56)35-34-41-57-55(67)49(44-52(63)64)59-51(62)43-48(37-30-26-23-20-17-14-11-8-5-2)69-54(66)39-31-27-24-21-18-15-12-9-6-3/h46-49,60H,4-45,56H2,1-3H3,(H,57,67)(H,58,61)(H,59,62)(H,63,64)/t46-,47-,48-,49-/m1/s1