ditert-butyl (2S)-2-[[4-[2-[[(2R)-3-[(2R)-2,3-di(hexadecanoyloxy)propyl]sulfanyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]ethanoylamino]phenyl]carbonylamino]pentanedioate

Systemtic Name: ditert-butyl (2S)-2-[[4-[2-[[(2R)-3-[(2R)-2,3-di(hexadecanoyloxy)propyl]sulfanyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]ethanoylamino]phenyl]carbonylamino]pentanedioate Openeye Name: ditert-butyl (2S)-2-[[4-[[2-[[(2R)-3-[(2R)-2,3-di(hexadecanoyloxy)propyl]sulfanyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]acetyl]amino]benzoyl]amino]pentanedioate CAS Name: (2S)-2-[[[4-[[2-[[(2R)-3-[[(2R)-2,3-bis(1-oxohexadecoxy)propyl]thio]-2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-1-oxopropyl]amino]-1-oxoethyl]amino]phenyl]-oxomethyl]amino]pentanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl (2S)-2-[[4-[[2-[[(2R)-3-[(2R)-2,3-di(hexadecanoyloxy)propyl]sulfanyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]acetyl]amino]benzoyl]amino]pentanedioate Traditional Name: (2S)-2-[[4-[[2-[[(2R)-3-[[(2R)-2,3-di(hexadecanoyloxy)propyl]thio]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]acetyl]amino]benzoyl]amino]glutaric acid ditert-butyl ester Formula: C75H114N4O13S MolecularWeight: 1311.79166

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(CSCC(C(=O)NCC(=O)NC1=CC=C(C=C1)C(=O)NC(CCC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)OC(=O)CCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC[C@H](CSC[C@@H](C(=O)NCC(=O)NC1=CC=C(C=C1)C(=O)N[C@@H](CCC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)OC(=O)CCCCCCCCCCCCCCC

InChI

InChI=1S/C75H114N4O13S/c1-9-11-13-15-17-19-21-23-25-27-29-31-33-43-67(81)88-52-58(90-68(82)44-34-32-30-28-26-24-22-20-18-16-14-12-10-2)54-93-55-65(79-73(87)89-53-63-61-41-37-35-39-59(61)60-40-36-38-42-62(60)63)71(85)76-51-66(80)77-57-47-45-56(46-48-57)70(84)78-64(72(86)92-75(6,7)8)49-50-69(83)91-74(3,4)5/h35-42,45-48,58,63-65H,9-34,43-44,49-55H2,1-8H3,(H,76,85)(H,77,80)(H,78,84)(H,79,87)/t58-,64+,65+/m1/s1