ditert-butyl (2S)-2-[[4-[[3-[2-(hexadecanoylamino)-3-oxidanyl-propyl]sulfanylpropanoylamino]methyl]phenyl]carbonylamino]pentanedioate

Systemtic Name: ditert-butyl (2S)-2-[[4-[[3-[2-(hexadecanoylamino)-3-oxidanyl-propyl]sulfanylpropanoylamino]methyl]phenyl]carbonylamino]pentanedioate Openeye Name: ditert-butyl (2S)-2-[[4-[[3-[2-(hexadecanoylamino)-3-hydroxy-propyl]sulfanylpropanoylamino]methyl]benzoyl]amino]pentanedioate CAS Name: (2S)-2-[[[4-[[[3-[[3-hydroxy-2-(1-oxohexadecylamino)propyl]thio]-1-oxopropyl]amino]methyl]phenyl]-oxomethyl]amino]pentanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl (2S)-2-[[4-[[3-[2-(hexadecanoylamino)-3-hydroxypropyl]sulfanylpropanoylamino]methyl]benzoyl]amino]pentanedioate Traditional Name: (2S)-2-[[4-[[3-[(3-hydroxy-2-palmitamido-propyl)thio]propanoylamino]methyl]benzoyl]amino]glutaric acid ditert-butyl ester Formula: C43H73N3O8S MolecularWeight: 792.12002

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)NC(CO)CSCCC(=O)NCC1=CC=C(C=C1)C(=O)NC(CCC(=O)OC(C)(C)C)C(=O)OC(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)NC(CO)CSCCC(=O)NCC1=CC=C(C=C1)C(=O)N[C@@H](CCC(=O)OC(C)(C)C)C(=O)OC(C)(C)C

InChI

InChI=1S/C43H73N3O8S/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-38(49)45-35(31-47)32-55-29-28-37(48)44-30-33-22-24-34(25-23-33)40(51)46-36(41(52)54-43(5,6)7)26-27-39(50)53-42(2,3)4/h22-25,35-36,47H,8-21,26-32H2,1-7H3,(H,44,48)(H,45,49)(H,46,51)/t35?,36-/m0/s1