methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-pyridin-3-yl-pent-4-ynoate hydrochloride

Systemtic Name: methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-pyridin-3-yl-pent-4-ynoate hydrochloride Openeye Name: methyl (2S)-2-(tert-butoxycarbonylamino)-5-(3-pyridyl)pent-4-ynoate hydrochloride CAS Name: (2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-5-(3-pyridinyl)-4-pentynoic acid methyl ester hydrochloride IUPAC Name: methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-pyridin-3-ylpent-4-ynoate hydrochloride Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-5-(3-pyridyl)pent-4-ynoic acid methyl ester hydrochloride Formula: C16H21ClN2O4 MolecularWeight: 340.80194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O4.ClH/c1-16(2,3)22-15(20)18-13(14(19)21-4)9-5-7-12-8-6-10-17-11-12;/h6,8,10-11,13H,9H2,1-4H3,(H,18,20);1H/t13-;/m0./s1