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

Systemtic Name: 2-[[(2R)-2-azanyl-6-[(4-hexylphenyl)carbonylamino]hexanoyl]amino]ethanoic acid Openeye Name: 2-[[(2R)-2-amino-6-[(4-hexylbenzoyl)amino]hexanoyl]amino]acetic acid CAS Name: 2-[[(2R)-2-amino-6-[[(4-hexylphenyl)-oxomethyl]amino]-1-oxohexyl]amino]acetic acid IUPAC Name: 2-[[(2R)-2-amino-6-[(4-hexylbenzoyl)amino]hexanoyl]amino]acetic acid Traditional Name: 2-[[(2R)-2-amino-6-[(4-hexylbenzoyl)amino]hexanoyl]amino]acetic acid Formula: C21H33N3O4 MolecularWeight: 391.50442

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C(=O)NCCCCC(C(=O)NCC(=O)O)N

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C(=O)NCCCC[C@H](C(=O)NCC(=O)O)N

InChI

InChI=1S/C21H33N3O4/c1-2-3-4-5-8-16-10-12-17(13-11-16)20(27)23-14-7-6-9-18(22)21(28)24-15-19(25)26/h10-13,18H,2-9,14-15,22H2,1H3,(H,23,27)(H,24,28)(H,25,26)/t18-/m1/s1