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

Systemtic Name: methyl (2S)-2-[[(2S)-2-azanyl-3-phenyl-propanoyl]-prop-2-ynyl-amino]hexanoate Openeye Name: methyl (2S)-2-[[(2S)-2-amino-3-phenyl-propanoyl]-prop-2-ynyl-amino]hexanoate CAS Name: (2S)-2-[[(2S)-2-amino-1-oxo-3-phenylpropyl]-prop-2-ynylamino]hexanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]-prop-2-ynylamino]hexanoate Traditional Name: (2S)-2-[[(2S)-2-amino-3-phenyl-propanoyl]-propargyl-amino]hexanoic acid methyl ester Formula: C19H26N2O3 MolecularWeight: 330.42134

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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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N2O3/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/t16-,17-/m0/s1