(3S)-4-azido-3-[[4-[(4-cyclohexylbutanoylamino)methyl]phenyl]carbonylamino]butanoic acid

Systemtic Name: (3S)-4-azido-3-[[4-[(4-cyclohexylbutanoylamino)methyl]phenyl]carbonylamino]butanoic acid Openeye Name: (3S)-4-azido-3-[[4-[(4-cyclohexylbutanoylamino)methyl]benzoyl]amino]butanoic acid CAS Name: (3S)-4-azido-3-[[[4-[[(4-cyclohexyl-1-oxobutyl)amino]methyl]phenyl]-oxomethyl]amino]butanoic acid IUPAC Name: (3S)-4-azido-3-[[4-[(4-cyclohexylbutanoylamino)methyl]benzoyl]amino]butanoic acid Traditional Name: (3S)-4-azido-3-[[4-[(4-cyclohexylbutanoylamino)methyl]benzoyl]amino]butyric acid Formula: C22H31N5O4 MolecularWeight: 429.51264

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCCC(=O)NCC2=CC=C(C=C2)C(=O)NC(CC(=O)O)CN=[N+]=[N-]

Isomeric SMILES

C1CCC(CC1)CCCC(=O)NCC2=CC=C(C=C2)C(=O)N[C@@H](CC(=O)O)CN=[N+]=[N-]

InChI

InChI=1S/C22H31N5O4/c23-27-25-15-19(13-21(29)30)26-22(31)18-11-9-17(10-12-18)14-24-20(28)8-4-7-16-5-2-1-3-6-16/h9-12,16,19H,1-8,13-15H2,(H,24,28)(H,26,31)(H,29,30)/t19-/m0/s1