(3S)-4-azido-3-[6-(naphthalen-1-ylcarbonylamino)hexanoylamino]butanoic acid

Systemtic Name: (3S)-4-azido-3-[6-(naphthalen-1-ylcarbonylamino)hexanoylamino]butanoic acid Openeye Name: (3S)-4-azido-3-[6-(naphthalene-1-carbonylamino)hexanoylamino]butanoic acid CAS Name: (3S)-4-azido-3-[[6-[[1-naphthalenyl(oxo)methyl]amino]-1-oxohexyl]amino]butanoic acid IUPAC Name: (3S)-4-azido-3-[6-(naphthalene-1-carbonylamino)hexanoylamino]butanoic acid Traditional Name: (3S)-4-azido-3-[6-(1-naphthoylamino)hexanoylamino]butyric acid Formula: C21H25N5O4 MolecularWeight: 411.4543

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2C(=O)NCCCCCC(=O)NC(CC(=O)O)CN=[N+]=[N-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2C(=O)NCCCCCC(=O)N[C@@H](CC(=O)O)CN=[N+]=[N-]

InChI

InChI=1S/C21H25N5O4/c22-26-24-14-16(13-20(28)29)25-19(27)11-2-1-5-12-23-21(30)18-10-6-8-15-7-3-4-9-17(15)18/h3-4,6-10,16H,1-2,5,11-14H2,(H,23,30)(H,25,27)(H,28,29)/t16-/m0/s1