(2S)-6-(2-azanylethanoylamino)-2-[(4-methylphenyl)carbonylamino]hexanoic acid

Systemtic Name: (2S)-6-(2-azanylethanoylamino)-2-[(4-methylphenyl)carbonylamino]hexanoic acid Openeye Name: (2S)-6-[(2-aminoacetyl)amino]-2-[(4-methylbenzoyl)amino]hexanoic acid CAS Name: (2S)-6-[(2-amino-1-oxoethyl)amino]-2-[[(4-methylphenyl)-oxomethyl]amino]hexanoic acid IUPAC Name: (2S)-6-[(2-aminoacetyl)amino]-2-[(4-methylbenzoyl)amino]hexanoic acid Traditional Name: (2S)-6-(glycylamino)-2-(p-toluoylamino)hexanoic acid Formula: C16H23N3O4 MolecularWeight: 321.37152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(CCCCNC(=O)CN)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N[C@@H](CCCCNC(=O)CN)C(=O)O

InChI

InChI=1S/C16H23N3O4/c1-11-5-7-12(8-6-11)15(21)19-13(16(22)23)4-2-3-9-18-14(20)10-17/h5-8,13H,2-4,9-10,17H2,1H3,(H,18,20)(H,19,21)(H,22,23)/t13-/m0/s1