AC1L9H7H

benzyl 2-[[1-[[5-[[amino(nitramido)methylidene]amino]-1-methoxy-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidine-1-carboxylate

Also Known As: Benzyl 2-(((1-benzyl-2-((4-(((2,2-dihydroxyhydrazino)(imino)methyl)amino)-1-(methoxycarbonyl)butyl)amino)-2-oxoethyl)amino)carbonyl)-1-pyrrolidinecarboxylate|benzyl 2-[[1-[[5-[[amino(nitramido)methylidene]amino]-1-methoxy-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidine-1-carboxylate|1-[(Benzyloxy)carbonyl]-N-(1-hydroxy-1-{[1-methoxy-5-(N'-nitrocarbamimidamido)-1-oxopentan-2-yl]imino}-3-phenylpropan-2-yl)pyrrolidine-2-carboximidic acid|1-[(Benzyloxy)carbonyl]-N-[1-hydroxy-1-({1-methoxy-5-[(N-nitrocarbamimidoyl)amino]-1-oxopentan-2-yl}imino)-3-phenylpropan-2-yl]pyrrolidine-2-carboximidic acid|benzyl 2-[[1-benzyl-2-[[1-methoxycarbonyl-4-[(N-nitrocarbamimidoyl)amino]butyl]amino]-2-oxo-ethyl]carbamoyl]pyrrolidine-1-carboxylate

Molecular Formula	C29H37N7O8
Molecular Weight	611.2704 g/mol
LogP	2.5
Topological Polar Surface Area	210.0 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	9
Rotatable Bonds	16
Exact Mass	611.2704
Monoisotopic Mass	611.2704
Heavy Atoms	44
Complexity	1010.0

Chemical Identifiers

CAS Number	6464-80-8
SMILES	COC(=O)C(CCCN=C(N)N[N+](=O)[O-])NC(=O)C(CC1=CC=CC=C1)NC(=O)C2CCCN2C(=O)OCC3=CC=CC=C3
InChIKey	WDOQDCDXQXXUJI-UHFFFAOYSA-N