methyl (2S)-2-[[(2S)-2-azanyl-3-phenyl-propanoyl]-prop-2-ynyl-amino]hexanoate hydrochloride

Systemtic Name: methyl (2S)-2-[[(2S)-2-azanyl-3-phenyl-propanoyl]-prop-2-ynyl-amino]hexanoate hydrochloride Openeye Name: methyl (2S)-2-[[(2S)-2-amino-3-phenyl-propanoyl]-prop-2-ynyl-amino]hexanoate hydrochloride CAS Name: (2S)-2-[[(2S)-2-amino-1-oxo-3-phenylpropyl]-prop-2-ynylamino]hexanoic acid methyl ester hydrochloride IUPAC Name: methyl (2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]-prop-2-ynylamino]hexanoate hydrochloride Traditional Name: (2S)-2-[[(2S)-2-amino-3-phenyl-propanoyl]-propargyl-amino]hexanoic acid methyl ester hydrochloride Formula: C19H27ClN2O3 MolecularWeight: 366.88228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N2O3.ClH/c1-4-6-12-17(19(23)24-3)21(13-5-2)18(22)16(20)14-15-10-8-7-9-11-15;/h2,7-11,16-17H,4,6,12-14,20H2,1,3H3;1H/t16-,17-;/m0./s1