tert-butyl (2S)-2-[4-methylpentanoyl-[2-(phenylmethoxycarbonylamino)ethanoylamino]amino]-5-phenyl-pentanoate

Systemtic Name: tert-butyl (2S)-2-[4-methylpentanoyl-[2-(phenylmethoxycarbonylamino)ethanoylamino]amino]-5-phenyl-pentanoate Openeye Name: tert-butyl (2S)-2-[[[2-(benzyloxycarbonylamino)acetyl]amino]-(4-methylpentanoyl)amino]-5-phenyl-pentanoate CAS Name: (2S)-2-[(4-methyl-1-oxopentyl)-[[1-oxo-2-(phenylmethoxycarbonylamino)ethyl]amino]amino]-5-phenylpentanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[4-methylpentanoyl-[[2-(phenylmethoxycarbonylamino)acetyl]amino]amino]-5-phenylpentanoate Traditional Name: (2S)-2-[[[2-(benzyloxycarbonylamino)acetyl]amino]-(4-methylpentanoyl)amino]-5-phenyl-valeric acid tert-butyl ester Formula: C31H43N3O6 MolecularWeight: 553.68962

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(=O)N(C(CCCC1=CC=CC=C1)C(=O)OC(C)(C)C)NC(=O)CNC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)CCC(=O)N([C@@H](CCCC1=CC=CC=C1)C(=O)OC(C)(C)C)NC(=O)CNC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C31H43N3O6/c1-23(2)19-20-28(36)34(33-27(35)21-32-30(38)39-22-25-15-10-7-11-16-25)26(29(37)40-31(3,4)5)18-12-17-24-13-8-6-9-14-24/h6-11,13-16,23,26H,12,17-22H2,1-5H3,(H,32,38)(H,33,35)/t26-/m0/s1