phenacyl (2S)-2-[[(2S)-5-azanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxidanylidene-pentanoyl]amino]-3-methyl-butanoate

Systemtic Name: phenacyl (2S)-2-[[(2S)-5-azanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxidanylidene-pentanoyl]amino]-3-methyl-butanoate Openeye Name: phenacyl (2S)-2-[[(2S)-5-amino-2-(tert-butoxycarbonylamino)-5-oxo-pentanoyl]amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(2S)-5-amino-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1,5-dioxopentyl]amino]-3-methylbutanoic acid phenacyl ester IUPAC Name: phenacyl (2S)-2-[[(2S)-5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoyl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[[(2S)-5-amino-2-(tert-butoxycarbonylamino)-5-keto-pentanoyl]amino]-3-methyl-butyric acid phenacyl ester Formula: C23H33N3O7 MolecularWeight: 463.52402

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)C1=CC=CC=C1)NC(=O)C(CCC(=O)N)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC(=O)C1=CC=CC=C1)NC(=O)[C@H](CCC(=O)N)NC(=O)OC(C)(C)C

InChI

InChI=1S/C23H33N3O7/c1-14(2)19(21(30)32-13-17(27)15-9-7-6-8-10-15)26-20(29)16(11-12-18(24)28)25-22(31)33-23(3,4)5/h6-10,14,16,19H,11-13H2,1-5H3,(H2,24,28)(H,25,31)(H,26,29)/t16-,19-/m0/s1