(2S)-4-azanyl-4-oxidanylidene-2-[[4-[(tetradecanoylamino)methyl]phenyl]carbonylamino]butanoic acid

Systemtic Name: (2S)-4-azanyl-4-oxidanylidene-2-[[4-[(tetradecanoylamino)methyl]phenyl]carbonylamino]butanoic acid Openeye Name: (2S)-4-amino-4-oxo-2-[[4-[(tetradecanoylamino)methyl]benzoyl]amino]butanoic acid CAS Name: (2S)-4-amino-4-oxo-2-[[oxo-[4-[(1-oxotetradecylamino)methyl]phenyl]methyl]amino]butanoic acid IUPAC Name: (2S)-4-amino-4-oxo-2-[[4-[(tetradecanoylamino)methyl]benzoyl]amino]butanoic acid Traditional Name: (2S)-4-amino-4-keto-2-[[4-[(tetradecanoylamino)methyl]benzoyl]amino]butyric acid Formula: C26H41N3O5 MolecularWeight: 475.62084

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)NCC1=CC=C(C=C1)C(=O)NC(CC(=O)N)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCC(=O)NCC1=CC=C(C=C1)C(=O)N[C@@H](CC(=O)N)C(=O)O

InChI

InChI=1S/C26H41N3O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-24(31)28-19-20-14-16-21(17-15-20)25(32)29-22(26(33)34)18-23(27)30/h14-17,22H,2-13,18-19H2,1H3,(H2,27,30)(H,28,31)(H,29,32)(H,33,34)/t22-/m0/s1