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

Systemtic Name: (2S)-6-(2-azanylethanoylamino)-2-[(4-hexylphenyl)carbonylamino]hexanoic acid Openeye Name: (2S)-6-[(2-aminoacetyl)amino]-2-[(4-hexylbenzoyl)amino]hexanoic acid CAS Name: (2S)-6-[(2-amino-1-oxoethyl)amino]-2-[[(4-hexylphenyl)-oxomethyl]amino]hexanoic acid IUPAC Name: (2S)-6-[(2-aminoacetyl)amino]-2-[(4-hexylbenzoyl)amino]hexanoic acid Traditional Name: (2S)-6-(glycylamino)-2-[(4-hexylbenzoyl)amino]hexanoic acid Formula: C21H33N3O4 MolecularWeight: 391.50442

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C(=O)NC(CCCCNC(=O)CN)C(=O)O

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C(=O)N[C@@H](CCCCNC(=O)CN)C(=O)O

InChI

InChI=1S/C21H33N3O4/c1-2-3-4-5-8-16-10-12-17(13-11-16)20(26)24-18(21(27)28)9-6-7-14-23-19(25)15-22/h10-13,18H,2-9,14-15,22H2,1H3,(H,23,25)(H,24,26)(H,27,28)/t18-/m0/s1