ditert-butyl (2S)-2-[[(4S)-4-[[4-[methyl(phenylmethoxycarbonyl)amino]phenyl]carbonylamino]-5-[(2-methylpropan-2-yl)oxy]-5-oxidanylidene-pentanoyl]amino]pentanedioate

Systemtic Name: ditert-butyl (2S)-2-[[(4S)-4-[[4-[methyl(phenylmethoxycarbonyl)amino]phenyl]carbonylamino]-5-[(2-methylpropan-2-yl)oxy]-5-oxidanylidene-pentanoyl]amino]pentanedioate Openeye Name: ditert-butyl (2S)-2-[[(4S)-4-[[4-[benzyloxycarbonyl(methyl)amino]benzoyl]amino]-5-tert-butoxy-5-oxo-pentanoyl]amino]pentanedioate CAS Name: (2S)-2-[[(4S)-4-[[[4-[methyl(phenylmethoxycarbonyl)amino]phenyl]-oxomethyl]amino]-5-[(2-methylpropan-2-yl)oxy]-1,5-dioxopentyl]amino]pentanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl (2S)-2-[[(4S)-4-[[4-[methyl(phenylmethoxycarbonyl)amino]benzoyl]amino]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoyl]amino]pentanedioate Traditional Name: (2S)-2-[[(4S)-5-tert-butoxy-4-[[4-[carbobenzoxy(methyl)amino]benzoyl]amino]-5-keto-pentanoyl]amino]glutaric acid ditert-butyl ester Formula: C38H53N3O10 MolecularWeight: 711.84152

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCC(C(=O)OC(C)(C)C)NC(=O)CCC(C(=O)OC(C)(C)C)NC(=O)C1=CC=C(C=C1)N(C)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)CC[C@@H](C(=O)OC(C)(C)C)NC(=O)CC[C@@H](C(=O)OC(C)(C)C)NC(=O)C1=CC=C(C=C1)N(C)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C38H53N3O10/c1-36(2,3)49-31(43)23-21-28(33(45)50-37(4,5)6)39-30(42)22-20-29(34(46)51-38(7,8)9)40-32(44)26-16-18-27(19-17-26)41(10)35(47)48-24-25-14-12-11-13-15-25/h11-19,28-29H,20-24H2,1-10H3,(H,39,42)(H,40,44)/t28-,29-/m0/s1