methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-phenyl-hex-5-ynoate hydrochloride

Systemtic Name: methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-phenyl-hex-5-ynoate hydrochloride Openeye Name: methyl (2S)-2-(tert-butoxycarbonylamino)-6-phenyl-hex-5-ynoate hydrochloride CAS Name: (2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-6-phenyl-5-hexynoic acid methyl ester hydrochloride IUPAC Name: methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-phenylhex-5-ynoate hydrochloride Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-6-phenyl-hex-5-ynoic acid methyl ester hydrochloride Formula: C18H24ClNO4 MolecularWeight: 353.84046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23NO4.ClH/c1-18(2,3)23-17(21)19-15(16(20)22-4)13-9-8-12-14-10-6-5-7-11-14;/h5-7,10-11,15H,9,13H2,1-4H3,(H,19,21);1H/t15-;/m0./s1