methyl (2S)-5-(2-aminophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-ynoate hydrochloride

Systemtic Name: methyl (2S)-5-(2-aminophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-ynoate hydrochloride Openeye Name: methyl (2S)-5-(2-aminophenyl)-2-(tert-butoxycarbonylamino)pent-4-ynoate hydrochloride CAS Name: (2S)-5-(2-aminophenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-pentynoic acid methyl ester hydrochloride IUPAC Name: methyl (2S)-5-(2-aminophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-ynoate hydrochloride Traditional Name: (2S)-5-(2-aminophenyl)-2-(tert-butoxycarbonylamino)pent-4-ynoic acid methyl ester hydrochloride Formula: C17H23ClN2O4 MolecularWeight: 354.82852

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC#CC1=CC=CC=C1N)C(=O)OC.Cl

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC#CC1=CC=CC=C1N)C(=O)OC.Cl

InChI

InChI=1S/C17H22N2O4.ClH/c1-17(2,3)23-16(21)19-14(15(20)22-4)11-7-9-12-8-5-6-10-13(12)18;/h5-6,8,10,14H,11,18H2,1-4H3,(H,19,21);1H/t14-;/m0./s1