(3S)-4-azido-3-[[4-[(naphthalen-2-ylcarbonylamino)methyl]cyclohexyl]carbonylamino]butanoic acid

Systemtic Name: (3S)-4-azido-3-[[4-[(naphthalen-2-ylcarbonylamino)methyl]cyclohexyl]carbonylamino]butanoic acid Openeye Name: (3S)-4-azido-3-[[4-[(naphthalene-2-carbonylamino)methyl]cyclohexanecarbonyl]amino]butanoic acid CAS Name: (3S)-4-azido-3-[[[4-[[[2-naphthalenyl(oxo)methyl]amino]methyl]cyclohexyl]-oxomethyl]amino]butanoic acid IUPAC Name: (3S)-4-azido-3-[[4-[(naphthalene-2-carbonylamino)methyl]cyclohexanecarbonyl]amino]butanoic acid Traditional Name: (3S)-4-azido-3-[[4-[(2-naphthoylamino)methyl]cyclohexanecarbonyl]amino]butyric acid Formula: C23H27N5O4 MolecularWeight: 437.49158

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CNC(=O)C2=CC3=CC=CC=C3C=C2)C(=O)NC(CC(=O)O)CN=[N+]=[N-]

Isomeric SMILES

C1CC(CCC1CNC(=O)C2=CC3=CC=CC=C3C=C2)C(=O)N[C@@H](CC(=O)O)CN=[N+]=[N-]

InChI

InChI=1S/C23H27N5O4/c24-28-26-14-20(12-21(29)30)27-23(32)17-7-5-15(6-8-17)13-25-22(31)19-10-9-16-3-1-2-4-18(16)11-19/h1-4,9-11,15,17,20H,5-8,12-14H2,(H,25,31)(H,27,32)(H,29,30)/t15?,17?,20-/m0/s1