3-[(2S)-2-acetamido-3-[[(2S)-6-azanyl-1-oxidanyl-1-oxidanylidene-hexan-2-yl]amino]-3-oxidanylidene-propyl]-4-diazonio-phenolate

Systemtic Name: 3-[(2S)-2-acetamido-3-[[(2S)-6-azanyl-1-oxidanyl-1-oxidanylidene-hexan-2-yl]amino]-3-oxidanylidene-propyl]-4-diazonio-phenolate Openeye Name: 3-[(2S)-2-acetamido-3-[[(1S)-5-amino-1-carboxy-pentyl]amino]-3-oxo-propyl]-4-diazonio-phenolate CAS Name: 3-[(2S)-2-acetamido-3-[[(2S)-6-amino-1-hydroxy-1-oxohexan-2-yl]amino]-3-oxopropyl]-4-diazoniophenolate IUPAC Name: 3-[(2S)-2-acetamido-3-[[(2S)-6-amino-1-hydroxy-1-oxohexan-2-yl]amino]-3-oxopropyl]-4-diazoniophenolate Traditional Name: 3-[(2S)-2-acetamido-3-[[(1S)-5-amino-1-carboxy-pentyl]amino]-3-keto-propyl]-4-diazonio-phenolate Formula: C17H23N5O5 MolecularWeight: 377.39502

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=C(C=CC(=C1)[O-])[N+]#N)C(=O)NC(CCCCN)C(=O)O

Isomeric SMILES

CC(=O)N[C@@H](CC1=C(C=CC(=C1)[O-])[N+]#N)C(=O)N[C@@H](CCCCN)C(=O)O

InChI

InChI=1S/C17H23N5O5/c1-10(23)20-15(9-11-8-12(24)5-6-13(11)22-19)16(25)21-14(17(26)27)4-2-3-7-18/h5-6,8,14-15H,2-4,7,9,18H2,1H3,(H3-,20,21,23,24,25,26,27)/t14-,15-/m0/s1