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

Systemtic Name: (2S)-6-(2-azanylethanoylamino)-2-[(4-ethylphenyl)carbonylamino]hexanoic acid Openeye Name: (2S)-6-[(2-aminoacetyl)amino]-2-[(4-ethylbenzoyl)amino]hexanoic acid CAS Name: (2S)-6-[(2-amino-1-oxoethyl)amino]-2-[[(4-ethylphenyl)-oxomethyl]amino]hexanoic acid IUPAC Name: (2S)-6-[(2-aminoacetyl)amino]-2-[(4-ethylbenzoyl)amino]hexanoic acid Traditional Name: (2S)-2-[(4-ethylbenzoyl)amino]-6-(glycylamino)hexanoic acid Formula: C17H25N3O4 MolecularWeight: 335.3981

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)NC(CCCCNC(=O)CN)C(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)N[C@@H](CCCCNC(=O)CN)C(=O)O

InChI

InChI=1S/C17H25N3O4/c1-2-12-6-8-13(9-7-12)16(22)20-14(17(23)24)5-3-4-10-19-15(21)11-18/h6-9,14H,2-5,10-11,18H2,1H3,(H,19,21)(H,20,22)(H,23,24)/t14-/m0/s1