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

Systemtic Name: methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenyl-pent-4-ynoate hydrochloride Openeye Name: methyl (2S)-2-(tert-butoxycarbonylamino)-5-phenyl-pent-4-ynoate hydrochloride CAS Name: (2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-5-phenyl-4-pentynoic acid methyl ester hydrochloride IUPAC Name: methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpent-4-ynoate hydrochloride Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-5-phenyl-pent-4-ynoic acid methyl ester hydrochloride Formula: C17H22ClNO4 MolecularWeight: 339.81388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC#CC1=CC=CC=C1)C(=O)OC.Cl

Isomeric SMILES

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

InChI

InChI=1S/C17H21NO4.ClH/c1-17(2,3)22-16(20)18-14(15(19)21-4)12-8-11-13-9-6-5-7-10-13;/h5-7,9-10,14H,12H2,1-4H3,(H,18,20);1H/t14-;/m0./s1