(3S)-4-azido-3-[[4-[(3-phenylpropanoylamino)methyl]cyclohexyl]carbonylamino]butanoic acid

Systemtic Name: (3S)-4-azido-3-[[4-[(3-phenylpropanoylamino)methyl]cyclohexyl]carbonylamino]butanoic acid Openeye Name: (3S)-4-azido-3-[[4-[(3-phenylpropanoylamino)methyl]cyclohexanecarbonyl]amino]butanoic acid CAS Name: (3S)-4-azido-3-[[oxo-[4-[[(1-oxo-3-phenylpropyl)amino]methyl]cyclohexyl]methyl]amino]butanoic acid IUPAC Name: (3S)-4-azido-3-[[4-[(3-phenylpropanoylamino)methyl]cyclohexanecarbonyl]amino]butanoic acid Traditional Name: (3S)-4-azido-3-[[4-[(hydrocinnamoylamino)methyl]cyclohexanecarbonyl]amino]butyric acid Formula: C21H29N5O4 MolecularWeight: 415.48606

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CNC(=O)CCC2=CC=CC=C2)C(=O)NC(CC(=O)O)CN=[N+]=[N-]

Isomeric SMILES

C1CC(CCC1CNC(=O)CCC2=CC=CC=C2)C(=O)N[C@@H](CC(=O)O)CN=[N+]=[N-]

InChI

InChI=1S/C21H29N5O4/c22-26-24-14-18(12-20(28)29)25-21(30)17-9-6-16(7-10-17)13-23-19(27)11-8-15-4-2-1-3-5-15/h1-5,16-18H,6-14H2,(H,23,27)(H,25,30)(H,28,29)/t16?,17?,18-/m0/s1