(2S)-5-azanyl-5-oxidanylidene-2-[[4-[(tetradecanoylamino)methyl]phenyl]carbonylamino]pentanoic acid

Systemtic Name: (2S)-5-azanyl-5-oxidanylidene-2-[[4-[(tetradecanoylamino)methyl]phenyl]carbonylamino]pentanoic acid Openeye Name: (2S)-5-amino-5-oxo-2-[[4-[(tetradecanoylamino)methyl]benzoyl]amino]pentanoic acid CAS Name: (2S)-5-amino-5-oxo-2-[[oxo-[4-[(1-oxotetradecylamino)methyl]phenyl]methyl]amino]pentanoic acid IUPAC Name: (2S)-5-amino-5-oxo-2-[[4-[(tetradecanoylamino)methyl]benzoyl]amino]pentanoic acid Traditional Name: (2S)-5-amino-5-keto-2-[[4-[(tetradecanoylamino)methyl]benzoyl]amino]valeric acid Formula: C27H43N3O5 MolecularWeight: 489.64742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H43N3O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-25(32)29-20-21-14-16-22(17-15-21)26(33)30-23(27(34)35)18-19-24(28)31/h14-17,23H,2-13,18-20H2,1H3,(H2,28,31)(H,29,32)(H,30,33)(H,34,35)/t23-/m0/s1