(3S)-4-azido-3-[[4-[(5-phenylpentanoylamino)methyl]phenyl]carbonylamino]butanoic acid

Systemtic Name: (3S)-4-azido-3-[[4-[(5-phenylpentanoylamino)methyl]phenyl]carbonylamino]butanoic acid Openeye Name: (3S)-4-azido-3-[[4-[(5-phenylpentanoylamino)methyl]benzoyl]amino]butanoic acid CAS Name: (3S)-4-azido-3-[[oxo-[4-[[(1-oxo-5-phenylpentyl)amino]methyl]phenyl]methyl]amino]butanoic acid IUPAC Name: (3S)-4-azido-3-[[4-[(5-phenylpentanoylamino)methyl]benzoyl]amino]butanoic acid Traditional Name: (3S)-4-azido-3-[[4-[(5-phenylpentanoylamino)methyl]benzoyl]amino]butyric acid Formula: C23H27N5O4 MolecularWeight: 437.49158

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCC(=O)NCC2=CC=C(C=C2)C(=O)NC(CC(=O)O)CN=[N+]=[N-]

Isomeric SMILES

C1=CC=C(C=C1)CCCCC(=O)NCC2=CC=C(C=C2)C(=O)N[C@@H](CC(=O)O)CN=[N+]=[N-]

InChI

InChI=1S/C23H27N5O4/c24-28-26-16-20(14-22(30)31)27-23(32)19-12-10-18(11-13-19)15-25-21(29)9-5-4-8-17-6-2-1-3-7-17/h1-3,6-7,10-13,20H,4-5,8-9,14-16H2,(H,25,29)(H,27,32)(H,30,31)/t20-/m0/s1