(2S)-6-(2-azanylethanoylamino)-2-[(3,5-dimethylphenyl)carbonylamino]hexanoic acid

Systemtic Name: (2S)-6-(2-azanylethanoylamino)-2-[(3,5-dimethylphenyl)carbonylamino]hexanoic acid Openeye Name: (2S)-6-[(2-aminoacetyl)amino]-2-[(3,5-dimethylbenzoyl)amino]hexanoic acid CAS Name: (2S)-6-[(2-amino-1-oxoethyl)amino]-2-[[(3,5-dimethylphenyl)-oxomethyl]amino]hexanoic acid IUPAC Name: (2S)-6-[(2-aminoacetyl)amino]-2-[(3,5-dimethylbenzoyl)amino]hexanoic acid Traditional Name: (2S)-2-[(3,5-dimethylbenzoyl)amino]-6-(glycylamino)hexanoic acid Formula: C17H25N3O4 MolecularWeight: 335.3981

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O4/c1-11-7-12(2)9-13(8-11)16(22)20-14(17(23)24)5-3-4-6-19-15(21)10-18/h7-9,14H,3-6,10,18H2,1-2H3,(H,19,21)(H,20,22)(H,23,24)/t14-/m0/s1