(2R)-6-azanyl-2-[[(2S)-2-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl]-phenyl-amino]-2,3,3-trinitro-hexanoic acid

Systemtic Name: (2R)-6-azanyl-2-[[(2S)-2-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl]-phenyl-amino]-2,3,3-trinitro-hexanoic acid Openeye Name: (2R)-6-amino-2-(N-[(2S)-2-amino-5-hydroxy-5-oxo-pentanoyl]anilino)-2,3,3-trinitro-hexanoic acid CAS Name: (2R)-6-amino-2-(N-[(2S)-2-amino-5-hydroxy-1,5-dioxopentyl]anilino)-2,3,3-trinitrohexanoic acid IUPAC Name: (2R)-6-amino-2-(N-[(2S)-2-amino-5-hydroxy-5-oxopentanoyl]anilino)-2,3,3-trinitrohexanoic acid Traditional Name: (2R)-6-amino-2-(N-[(2S)-2-amino-5-hydroxy-5-keto-pentanoyl]anilino)-2,3,3-trinitro-hexanoic acid Formula: C17H22N6O11 MolecularWeight: 486.39018

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(C(=O)C(CCC(=O)O)N)C(C(=O)O)(C(CCCN)([N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N(C(=O)[C@H](CCC(=O)O)N)[C@](C(=O)O)(C(CCCN)([N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H22N6O11/c18-10-4-9-16(21(29)30,22(31)32)17(15(27)28,23(33)34)20(11-5-2-1-3-6-11)14(26)12(19)7-8-13(24)25/h1-3,5-6,12H,4,7-10,18-19H2,(H,24,25)(H,27,28)/t12-,17-/m0/s1