tert-butyl (2S)-2-[(4-aminophenyl)carbonylamino]-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate

Systemtic Name: tert-butyl (2S)-2-[(4-aminophenyl)carbonylamino]-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate Openeye Name: tert-butyl (2S)-2-[(4-aminobenzoyl)amino]-5-(tert-butoxycarbonylamino)pentanoate CAS Name: (2S)-2-[[(4-aminophenyl)-oxomethyl]amino]-5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]pentanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[(4-aminobenzoyl)amino]-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate Traditional Name: (2S)-2-[(4-aminobenzoyl)amino]-5-(tert-butoxycarbonylamino)valeric acid tert-butyl ester Formula: C21H33N3O5 MolecularWeight: 407.50382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H33N3O5/c1-20(2,3)28-18(26)16(8-7-13-23-19(27)29-21(4,5)6)24-17(25)14-9-11-15(22)12-10-14/h9-12,16H,7-8,13,22H2,1-6H3,(H,23,27)(H,24,25)/t16-/m0/s1