(2S,3S)-2-[3-[(2,4-dinitrophenyl)amino]propanoylamino]-3-methyl-pentanamide

Systemtic Name: (2S,3S)-2-[3-[(2,4-dinitrophenyl)amino]propanoylamino]-3-methyl-pentanamide Openeye Name: (2S,3S)-2-[3-(2,4-dinitroanilino)propanoylamino]-3-methyl-pentanamide CAS Name: (2S,3S)-2-[[3-(2,4-dinitroanilino)-1-oxopropyl]amino]-3-methylpentanamide IUPAC Name: (2S,3S)-2-[3-(2,4-dinitroanilino)propanoylamino]-3-methylpentanamide Traditional Name: (2S,3S)-2-[3-(2,4-dinitroanilino)propanoylamino]-3-methyl-valeramide Formula: C15H21N5O6 MolecularWeight: 367.35714

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N)NC(=O)CCNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N)NC(=O)CCNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H21N5O6/c1-3-9(2)14(15(16)22)18-13(21)6-7-17-11-5-4-10(19(23)24)8-12(11)20(25)26/h4-5,8-9,14,17H,3,6-7H2,1-2H3,(H2,16,22)(H,18,21)/t9-,14-/m0/s1