3-[2-(2-azanylbutanoylamino)propanoylamino]-6-[[azanyl(nitramido)methylidene]amino]-2-oxidanyl-N-phenethyl-hexanamide

Systemtic Name: 3-[2-(2-azanylbutanoylamino)propanoylamino]-6-[[azanyl(nitramido)methylidene]amino]-2-oxidanyl-N-phenethyl-hexanamide Openeye Name: 3-[2-(2-aminobutanoylamino)propanoylamino]-6-[[amino(nitramido)methylene]amino]-2-hydroxy-N-phenethyl-hexanamide CAS Name: 6-[[amino(nitramido)methylidene]amino]-3-[[2-[(2-amino-1-oxobutyl)amino]-1-oxopropyl]amino]-2-hydroxy-N-phenethylhexanamide IUPAC Name: 3-[2-(2-aminobutanoylamino)propanoylamino]-6-[[amino(nitramido)methylidene]amino]-2-hydroxy-N-phenethylhexanamide Traditional Name: 3-[2-(2-aminobutanoylamino)propanoylamino]-6-[[amino(nitramido)methylene]amino]-2-hydroxy-N-phenethyl-hexanamide Formula: C22H36N8O6 MolecularWeight: 508.57124

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC(C)C(=O)NC(CCCN=C(N)N[N+](=O)[O-])C(C(=O)NCCC1=CC=CC=C1)O)N

Isomeric SMILES

CCC(C(=O)NC(C)C(=O)NC(CCCN=C(N)N[N+](=O)[O-])C(C(=O)NCCC1=CC=CC=C1)O)N

InChI

InChI=1S/C22H36N8O6/c1-3-16(23)20(33)27-14(2)19(32)28-17(10-7-12-26-22(24)29-30(35)36)18(31)21(34)25-13-11-15-8-5-4-6-9-15/h4-6,8-9,14,16-18,31H,3,7,10-13,23H2,1-2H3,(H,25,34)(H,27,33)(H,28,32)(H3,24,26,29)