methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-7-phenyl-hept-6-ynoate hydrochloride

Systemtic Name: methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-7-phenyl-hept-6-ynoate hydrochloride Openeye Name: methyl (2S)-2-(tert-butoxycarbonylamino)-7-phenyl-hept-6-ynoate hydrochloride CAS Name: (2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-7-phenyl-6-heptynoic acid methyl ester hydrochloride IUPAC Name: methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-7-phenylhept-6-ynoate hydrochloride Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-7-phenyl-hept-6-ynoic acid methyl ester hydrochloride Formula: C19H26ClNO4 MolecularWeight: 367.86704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25NO4.ClH/c1-19(2,3)24-18(22)20-16(17(21)23-4)14-10-6-9-13-15-11-7-5-8-12-15;/h5,7-8,11-12,16H,6,10,14H2,1-4H3,(H,20,22);1H/t16-;/m0./s1