3-(aminomethyl)-N-[(2S)-3-methyl-1-[[(3S)-1-nitro-2-oxidanylidene-heptan-3-yl]amino]-1-oxidanylidene-pentan-2-yl]benzamide

Systemtic Name: 3-(aminomethyl)-N-[(2S)-3-methyl-1-[[(3S)-1-nitro-2-oxidanylidene-heptan-3-yl]amino]-1-oxidanylidene-pentan-2-yl]benzamide Openeye Name: 3-(aminomethyl)-N-[(1S)-2-methyl-1-[[(1S)-1-(2-nitroacetyl)pentyl]carbamoyl]butyl]benzamide CAS Name: 3-(aminomethyl)-N-[(2S)-3-methyl-1-[[(3S)-1-nitro-2-oxoheptan-3-yl]amino]-1-oxopentan-2-yl]benzamide IUPAC Name: 3-(aminomethyl)-N-[(2S)-3-methyl-1-[[(3S)-1-nitro-2-oxoheptan-3-yl]amino]-1-oxopentan-2-yl]benzamide Traditional Name: 3-(aminomethyl)-N-[(1S)-2-methyl-1-[[(1S)-1-(2-nitroacetyl)pentyl]carbamoyl]butyl]benzamide Formula: C21H32N4O5 MolecularWeight: 420.50258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N4O5/c1-4-6-10-17(18(26)13-25(29)30)23-21(28)19(14(3)5-2)24-20(27)16-9-7-8-15(11-16)12-22/h7-9,11,14,17,19H,4-6,10,12-13,22H2,1-3H3,(H,23,28)(H,24,27)/t14?,17-,19-/m0/s1