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

Systemtic Name: 6-[[azanyl(nitramido)methylidene]amino]-3-(2-azanylpropanoylamino)-2-oxidanyl-N-phenethyl-hexanamide Openeye Name: 6-[[amino(nitramido)methylene]amino]-3-(2-aminopropanoylamino)-2-hydroxy-N-phenethyl-hexanamide CAS Name: 6-[[amino(nitramido)methylidene]amino]-3-[(2-amino-1-oxopropyl)amino]-2-hydroxy-N-phenethylhexanamide IUPAC Name: 6-[[amino(nitramido)methylidene]amino]-3-(2-aminopropanoylamino)-2-hydroxy-N-phenethylhexanamide Traditional Name: 3-(alanylamino)-6-[[amino(nitramido)methylene]amino]-2-hydroxy-N-phenethyl-hexanamide Formula: C18H29N7O5 MolecularWeight: 423.46676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29N7O5/c1-12(19)16(27)23-14(8-5-10-22-18(20)24-25(29)30)15(26)17(28)21-11-9-13-6-3-2-4-7-13/h2-4,6-7,12,14-15,26H,5,8-11,19H2,1H3,(H,21,28)(H,23,27)(H3,20,22,24)