(3S)-4-azido-3-[6-[(4-ethanoylphenyl)sulfonylamino]hexanoylamino]butanoic acid

Systemtic Name: (3S)-4-azido-3-[6-[(4-ethanoylphenyl)sulfonylamino]hexanoylamino]butanoic acid Openeye Name: (3S)-3-[6-[(4-acetylphenyl)sulfonylamino]hexanoylamino]-4-azido-butanoic acid CAS Name: (3S)-3-[[6-[(4-acetylphenyl)sulfonylamino]-1-oxohexyl]amino]-4-azidobutanoic acid IUPAC Name: (3S)-3-[6-[(4-acetylphenyl)sulfonylamino]hexanoylamino]-4-azidobutanoic acid Traditional Name: (3S)-3-[6-[(4-acetylphenyl)sulfonylamino]hexanoylamino]-4-azido-butyric acid Formula: C18H25N5O6S MolecularWeight: 439.486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N5O6S/c1-13(24)14-6-8-16(9-7-14)30(28,29)21-10-4-2-3-5-17(25)22-15(11-18(26)27)12-20-23-19/h6-9,15,21H,2-5,10-12H2,1H3,(H,22,25)(H,26,27)/t15-/m0/s1