(2S)-6-azanyl-2-[[(3R)-3-[[(3R)-3-dodecanoyloxytetradecanoyl]amino]-4-oxidanylidene-4-[[(4R)-5-oxidanyl-4-[[(3R)-3-oxidanyltetradecanoyl]amino]pentyl]amino]butanoyl]amino]hexanoic acid

Systemtic Name: (2S)-6-azanyl-2-[[(3R)-3-[[(3R)-3-dodecanoyloxytetradecanoyl]amino]-4-oxidanylidene-4-[[(4R)-5-oxidanyl-4-[[(3R)-3-oxidanyltetradecanoyl]amino]pentyl]amino]butanoyl]amino]hexanoic acid Openeye Name: (2S)-6-amino-2-[[(3R)-3-[[(3R)-3-dodecanoyloxytetradecanoyl]amino]-4-[[(4R)-5-hydroxy-4-[[(3R)-3-hydroxytetradecanoyl]amino]pentyl]amino]-4-oxo-butanoyl]amino]hexanoic acid CAS Name: (2S)-6-amino-2-[[(3R)-4-[[(4R)-5-hydroxy-4-[[(3R)-3-hydroxy-1-oxotetradecyl]amino]pentyl]amino]-1,4-dioxo-3-[[(3R)-1-oxo-3-(1-oxododecoxy)tetradecyl]amino]butyl]amino]hexanoic acid IUPAC Name: (2S)-6-amino-2-[[(3R)-3-[[(3R)-3-dodecanoyloxytetradecanoyl]amino]-4-[[(4R)-5-hydroxy-4-[[(3R)-3-hydroxytetradecanoyl]amino]pentyl]amino]-4-oxobutanoyl]amino]hexanoic acid Traditional Name: (2S)-6-amino-2-[[(3R)-4-[[(4R)-5-hydroxy-4-[[(3R)-3-hydroxytetradecanoyl]amino]pentyl]amino]-4-keto-3-[[(3R)-3-lauroyloxytetradecanoyl]amino]butanoyl]amino]hexanoic acid Formula: C55H105N5O10 MolecularWeight: 996.4497

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(CC(=O)NC(CCCNC(=O)C(CC(=O)NC(CCCCN)C(=O)O)NC(=O)CC(CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)CO)O

Isomeric SMILES

CCCCCCCCCCC[C@H](CC(=O)N[C@H](CCCNC(=O)[C@@H](CC(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)CO)O

InChI

InChI=1S/C55H105N5O10/c1-4-7-10-13-16-19-22-25-28-35-46(62)41-50(63)58-45(44-61)34-33-40-57-54(67)49(43-52(65)59-48(55(68)69)37-31-32-39-56)60-51(64)42-47(36-29-26-23-20-17-14-11-8-5-2)70-53(66)38-30-27-24-21-18-15-12-9-6-3/h45-49,61-62H,4-44,56H2,1-3H3,(H,57,67)(H,58,63)(H,59,65)(H,60,64)(H,68,69)/t45-,46-,47-,48+,49-/m1/s1