2-[[(2S)-2-[2-[[(2S)-2-[[6-[(2R)-5-[[2-[[(3R)-3-dodecanoyloxytetradecanoyl]amino]-4-phosphonooxy-butanoyl]amino]-2-[[(3R)-3-oxidanyltetradecanoyl]amino]pentoxy]-6-oxidanylidene-hexyl]amino]-3-phenyl-propanoyl]amino]ethanoylamino]-3-phenyl-propanoyl]amino]ethanoic acid

Systemtic Name: 2-[[(2S)-2-[2-[[(2S)-2-[[6-[(2R)-5-[[2-[[(3R)-3-dodecanoyloxytetradecanoyl]amino]-4-phosphonooxy-butanoyl]amino]-2-[[(3R)-3-oxidanyltetradecanoyl]amino]pentoxy]-6-oxidanylidene-hexyl]amino]-3-phenyl-propanoyl]amino]ethanoylamino]-3-phenyl-propanoyl]amino]ethanoic acid Openeye Name: 2-[[(2S)-2-[[2-[[(2S)-2-[[6-[(2R)-5-[[2-[[(3R)-3-dodecanoyloxytetradecanoyl]amino]-4-phosphonooxy-butanoyl]amino]-2-[[(3R)-3-hydroxytetradecanoyl]amino]pentoxy]-6-oxo-hexyl]amino]-3-phenyl-propanoyl]amino]acetyl]amino]-3-phenyl-propanoyl]amino]acetic acid CAS Name: 2-[[(2S)-2-[[2-[[(2S)-2-[[6-[(2R)-2-[[(3R)-3-hydroxy-1-oxotetradecyl]amino]-5-[[1-oxo-2-[[(3R)-1-oxo-3-(1-oxododecoxy)tetradecyl]amino]-4-phosphonooxybutyl]amino]pentoxy]-6-oxohexyl]amino]-1-oxo-3-phenylpropyl]amino]-1-oxoethyl]amino]-1-oxo-3-phenylpropyl]amino]acetic acid IUPAC Name: 2-[[(2S)-2-[[2-[[(2S)-2-[[6-[(2R)-5-[[2-[[(3R)-3-dodecanoyloxytetradecanoyl]amino]-4-phosphonooxybutanoyl]amino]-2-[[(3R)-3-hydroxytetradecanoyl]amino]pentoxy]-6-oxohexyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]acetic acid Traditional Name: 2-[[(2S)-2-[[2-[[(2S)-2-[[6-[(2R)-2-[[(3R)-3-hydroxytetradecanoyl]amino]-5-[[2-[[(3R)-3-lauroyloxytetradecanoyl]amino]-4-phosphonooxy-butanoyl]amino]pentoxy]-6-keto-hexyl]amino]-3-phenyl-propanoyl]amino]acetyl]amino]-3-phenyl-propanoyl]amino]acetic acid Formula: C77H130N7O17P MolecularWeight: 1456.866561

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(CC(=O)NC(CCCNC(=O)C(CCOP(=O)(O)O)NC(=O)CC(CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)COC(=O)CCCCCNC(CC1=CC=CC=C1)C(=O)NCC(=O)NC(CC2=CC=CC=C2)C(=O)NCC(=O)O)O

Isomeric SMILES

CCCCCCCCCCC[C@H](CC(=O)N[C@H](CCCNC(=O)C(CCOP(=O)(O)O)NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)COC(=O)CCCCCN[C@@H](CC1=CC=CC=C1)C(=O)NCC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)NCC(=O)O)O

InChI

InChI=1S/C77H130N7O17P/c1-4-7-10-13-16-19-22-25-35-46-64(85)56-69(86)82-63(60-99-73(91)48-38-30-39-51-78-67(54-61-41-31-28-32-42-61)76(94)80-58-71(88)84-68(77(95)81-59-72(89)90)55-62-43-33-29-34-44-62)45-40-52-79-75(93)66(50-53-100-102(96,97)98)83-70(87)57-65(47-36-26-23-20-17-14-11-8-5-2)101-74(92)49-37-27-24-21-18-15-12-9-6-3/h28-29,31-34,41-44,63-68,78,85H,4-27,30,35-40,45-60H2,1-3H3,(H,79,93)(H,80,94)(H,81,95)(H,82,86)(H,83,87)(H,84,88)(H,89,90)(H2,96,97,98)/t63-,64-,65-,66?,67+,68+/m1/s1