(2S)-6-azanyl-2-[[(2R)-2-azanyl-3-[(3-nitropyridin-2-yl)disulfanyl]propanoyl]amino]hexanamide

Systemtic Name: (2S)-6-azanyl-2-[[(2R)-2-azanyl-3-[(3-nitropyridin-2-yl)disulfanyl]propanoyl]amino]hexanamide Openeye Name: (2S)-6-amino-2-[[(2R)-2-amino-3-[(3-nitro-2-pyridyl)disulfanyl]propanoyl]amino]hexanamide CAS Name: (2S)-6-amino-2-[[(2R)-2-amino-3-[(3-nitro-2-pyridinyl)disulfanyl]-1-oxopropyl]amino]hexanamide IUPAC Name: (2S)-6-amino-2-[[(2R)-2-amino-3-[(3-nitropyridin-2-yl)disulfanyl]propanoyl]amino]hexanamide Traditional Name: (2S)-6-amino-2-[[(2R)-2-amino-3-[(3-nitro-2-pyridyl)disulfanyl]propanoyl]amino]hexanamide Formula: C14H22N6O4S2 MolecularWeight: 402.49228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22N6O4S2/c15-6-2-1-4-10(12(17)21)19-13(22)9(16)8-25-26-14-11(20(23)24)5-3-7-18-14/h3,5,7,9-10H,1-2,4,6,8,15-16H2,(H2,17,21)(H,19,22)/t9-,10-/m0/s1