tert-butyl (2S)-5-[(N'-methyl-N-phenylmethoxy-carbamimidoyl)amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate

Systemtic Name: tert-butyl (2S)-5-[(N'-methyl-N-phenylmethoxy-carbamimidoyl)amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate Openeye Name: tert-butyl (2S)-5-[(N-benzyloxy-N'-methyl-carbamimidoyl)amino]-2-(tert-butoxycarbonylamino)pentanoate CAS Name: (2S)-5-[[methylimino-(phenylmethoxyamino)methyl]amino]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]pentanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-5-[(N'-methyl-N-phenylmethoxycarbamimidoyl)amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate Traditional Name: (2S)-5-[(N-benzoxy-N'-methyl-amidino)amino]-2-(tert-butoxycarbonylamino)valeric acid tert-butyl ester Formula: C23H38N4O5 MolecularWeight: 450.57162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H38N4O5/c1-22(2,3)31-19(28)18(26-21(29)32-23(4,5)6)14-11-15-25-20(24-7)27-30-16-17-12-9-8-10-13-17/h8-10,12-13,18H,11,14-16H2,1-7H3,(H,26,29)(H2,24,25,27)/t18-/m0/s1