2-[[(2R)-2-azanyl-6-[(4-octylphenyl)carbonylamino]hexanoyl]amino]ethanoic acid

Systemtic Name: 2-[[(2R)-2-azanyl-6-[(4-octylphenyl)carbonylamino]hexanoyl]amino]ethanoic acid Openeye Name: 2-[[(2R)-2-amino-6-[(4-octylbenzoyl)amino]hexanoyl]amino]acetic acid CAS Name: 2-[[(2R)-2-amino-6-[[(4-octylphenyl)-oxomethyl]amino]-1-oxohexyl]amino]acetic acid IUPAC Name: 2-[[(2R)-2-amino-6-[(4-octylbenzoyl)amino]hexanoyl]amino]acetic acid Traditional Name: 2-[[(2R)-2-amino-6-[(4-octylbenzoyl)amino]hexanoyl]amino]acetic acid Formula: C23H37N3O4 MolecularWeight: 419.55758

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C(=O)NCCCCC(C(=O)NCC(=O)O)N

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C(=O)NCCCC[C@H](C(=O)NCC(=O)O)N

InChI

InChI=1S/C23H37N3O4/c1-2-3-4-5-6-7-10-18-12-14-19(15-13-18)22(29)25-16-9-8-11-20(24)23(30)26-17-21(27)28/h12-15,20H,2-11,16-17,24H2,1H3,(H,25,29)(H,26,30)(H,27,28)/t20-/m1/s1