methyl (2S)-3-(3-carbamimidoylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Systemtic Name: methyl (2S)-3-(3-carbamimidoylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Openeye Name: methyl (2S)-2-(tert-butoxycarbonylamino)-3-(3-carbamimidoylphenyl)propanoate CAS Name: (2S)-3-(3-carbamimidoylphenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-(3-carbamimidoylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: (2S)-3-(3-amidinophenyl)-2-(tert-butoxycarbonylamino)propionic acid methyl ester Formula: C16H23N3O4 MolecularWeight: 321.37152

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=CC(=C1)C(=N)N)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC(=C1)C(=N)N)C(=O)OC

InChI

InChI=1S/C16H23N3O4/c1-16(2,3)23-15(21)19-12(14(20)22-4)9-10-6-5-7-11(8-10)13(17)18/h5-8,12H,9H2,1-4H3,(H3,17,18)(H,19,21)/t12-/m0/s1