ditert-butyl (2R)-2-[2-[[(2R)-2-azanyl-3-[(2R)-2,3-di(hexadecanoyloxy)propyl]sulfanyl-propanoyl]amino]ethanoylamino]pentanedioate

Systemtic Name: ditert-butyl (2R)-2-[2-[[(2R)-2-azanyl-3-[(2R)-2,3-di(hexadecanoyloxy)propyl]sulfanyl-propanoyl]amino]ethanoylamino]pentanedioate Openeye Name: ditert-butyl (2R)-2-[[2-[[(2R)-2-amino-3-[(2R)-2,3-di(hexadecanoyloxy)propyl]sulfanyl-propanoyl]amino]acetyl]amino]pentanedioate CAS Name: (2R)-2-[[2-[[(2R)-2-amino-3-[[(2R)-2,3-bis(1-oxohexadecoxy)propyl]thio]-1-oxopropyl]amino]-1-oxoethyl]amino]pentanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl (2R)-2-[[2-[[(2R)-2-amino-3-[(2R)-2,3-di(hexadecanoyloxy)propyl]sulfanylpropanoyl]amino]acetyl]amino]pentanedioate Traditional Name: (2R)-2-[[2-[[(2R)-2-amino-3-[[(2R)-2,3-di(hexadecanoyloxy)propyl]thio]propanoyl]amino]acetyl]amino]glutaric acid ditert-butyl ester Formula: C53H99N3O10S MolecularWeight: 970.43226

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(CSCC(C(=O)NCC(=O)NC(CCC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)N)OC(=O)CCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC[C@H](CSC[C@@H](C(=O)NCC(=O)N[C@H](CCC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)N)OC(=O)CCCCCCCCCCCCCCC

InChI

InChI=1S/C53H99N3O10S/c1-9-11-13-15-17-19-21-23-25-27-29-31-33-35-47(58)63-40-43(64-48(59)36-34-32-30-28-26-24-22-20-18-16-14-12-10-2)41-67-42-44(54)50(61)55-39-46(57)56-45(51(62)66-53(6,7)8)37-38-49(60)65-52(3,4)5/h43-45H,9-42,54H2,1-8H3,(H,55,61)(H,56,57)/t43-,44+,45-/m1/s1