N-[(3S)-1-[2-[[(3S)-2-ethoxy-1-[(E)-N'-nitrocarbamimidoyl]piperidin-3-yl]amino]-2-oxidanylidene-ethyl]-2-oxidanylidene-piperidin-3-yl]-2-phenyl-ethanamide

Systemtic Name: N-[(3S)-1-[2-[[(3S)-2-ethoxy-1-[(E)-N'-nitrocarbamimidoyl]piperidin-3-yl]amino]-2-oxidanylidene-ethyl]-2-oxidanylidene-piperidin-3-yl]-2-phenyl-ethanamide Openeye Name: N-[(3S)-1-[2-[[(3S)-2-ethoxy-1-[(E)-N'-nitrocarbamimidoyl]-3-piperidyl]amino]-2-oxo-ethyl]-2-oxo-3-piperidyl]-2-phenyl-acetamide CAS Name: N-[(3S)-1-[2-[[(3S)-1-[(E)-amino(nitroimino)methyl]-2-ethoxy-3-piperidinyl]amino]-2-oxoethyl]-2-oxo-3-piperidinyl]-2-phenylacetamide IUPAC Name: N-[(3S)-1-[2-[[(3S)-2-ethoxy-1-[(E)-N'-nitrocarbamimidoyl]piperidin-3-yl]amino]-2-oxoethyl]-2-oxopiperidin-3-yl]-2-phenylacetamide Traditional Name: N-[(3S)-1-[2-[[(3S)-2-ethoxy-1-[(E)-N'-nitroamidino]-3-piperidyl]amino]-2-keto-ethyl]-2-keto-3-piperidyl]-2-phenyl-acetamide Formula: C23H33N7O6 MolecularWeight: 503.55142

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1C(CCCN1C(=N[N+](=O)[O-])N)NC(=O)CN2CCCC(C2=O)NC(=O)CC3=CC=CC=C3

Isomeric SMILES

CCOC1[C@H](CCCN1/C(=N/[N+](=O)[O-])/N)NC(=O)CN2CCC[C@@H](C2=O)NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C23H33N7O6/c1-2-36-22-18(11-7-13-29(22)23(24)27-30(34)35)26-20(32)15-28-12-6-10-17(21(28)33)25-19(31)14-16-8-4-3-5-9-16/h3-5,8-9,17-18,22H,2,6-7,10-15H2,1H3,(H2,24,27)(H,25,31)(H,26,32)/t17-,18-,22?/m0/s1