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

Systemtic Name: (2S)-6-(2-azanylethanoylamino)-2-[(4-octylphenyl)carbonylamino]hexanoic acid Openeye Name: (2S)-6-[(2-aminoacetyl)amino]-2-[(4-octylbenzoyl)amino]hexanoic acid CAS Name: (2S)-6-[(2-amino-1-oxoethyl)amino]-2-[[(4-octylphenyl)-oxomethyl]amino]hexanoic acid IUPAC Name: (2S)-6-[(2-aminoacetyl)amino]-2-[(4-octylbenzoyl)amino]hexanoic acid Traditional Name: (2S)-6-(glycylamino)-2-[(4-octylbenzoyl)amino]hexanoic acid Formula: C23H37N3O4 MolecularWeight: 419.55758

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C(=O)NC(CCCCNC(=O)CN)C(=O)O

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C(=O)N[C@@H](CCCCNC(=O)CN)C(=O)O

InChI

InChI=1S/C23H37N3O4/c1-2-3-4-5-6-7-10-18-12-14-19(15-13-18)22(28)26-20(23(29)30)11-8-9-16-25-21(27)17-24/h12-15,20H,2-11,16-17,24H2,1H3,(H,25,27)(H,26,28)(H,29,30)/t20-/m0/s1