tert-butyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(phenylmethoxycarbamoylamino)pentanoate

Systemtic Name: tert-butyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(phenylmethoxycarbamoylamino)pentanoate Openeye Name: tert-butyl (2S)-5-(benzyloxycarbamoylamino)-2-(tert-butoxycarbonylamino)pentanoate CAS Name: (2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-5-[[oxo-(phenylmethoxyamino)methyl]amino]pentanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(phenylmethoxycarbamoylamino)pentanoate Traditional Name: (2S)-5-(benzoxycarbamoylamino)-2-(tert-butoxycarbonylamino)valeric acid tert-butyl ester Formula: C22H35N3O6 MolecularWeight: 437.5298

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CCCNC(=O)NOCC1=CC=CC=C1)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)[C@H](CCCNC(=O)NOCC1=CC=CC=C1)NC(=O)OC(C)(C)C

InChI

InChI=1S/C22H35N3O6/c1-21(2,3)30-18(26)17(24-20(28)31-22(4,5)6)13-10-14-23-19(27)25-29-15-16-11-8-7-9-12-16/h7-9,11-12,17H,10,13-15H2,1-6H3,(H,24,28)(H2,23,25,27)/t17-/m0/s1