Malonylbis(methionyl-4-nitrophenyl ester)

[(1S)-1-carboxy-3-methylsulfanylpropyl]-[3-[[(1S)-1-carboxy-3-methylsulfanylpropyl]amino]-3-oxopropanoyl]-bis(4-nitrophenyl)azanium

Also Known As: Malonyl-(met-onp)2|Malonylbis(methionyl-4-nitrophenyl ester)|[(1S)-1-carboxy-3-methylsulfanylpropyl]-[3-[[(1S)-1-carboxy-3-methylsulfanylpropyl]amino]-3-oxopropanoyl]-bis(4-nitrophenyl)azanium|L-Methionine, N,N'-(1,3-dioxo-1,3-propanediyl)bis-, bis(4-nitrophenyl) ester|N-[(1S)-1-Carboxy-3-(methylsulfanyl)propyl]-3-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]imino}-3-hydroxy-N,N-bis(4-nitrophenyl)propanamidium|N-[1-Carboxy-3-(methylsulfanyl)propyl]-3-{[1-carboxy-3-(methylsulfanyl)propyl]imino}-3-hydroxy-N,N-bis(4-nitrophenyl)propanamidium

Molecular Formula	C25H29N4O10S2+
Molecular Weight	609.1325 g/mol
LogP	3.6
Topological Polar Surface Area	263.0 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	12
Rotatable Bonds	14
Exact Mass	609.1325
Monoisotopic Mass	609.1325
Heavy Atoms	41
Complexity	923.0

Chemical Identifiers

CAS Number	87498-80-4
SMILES	CSCC[C@@H](C(=O)O)NC(=O)CC(=O)[N+](C1=CC=C(C=C1)[N+](=O)[O-])(C2=CC=C(C=C2)[N+](=O)[O-])[C@@H](CCSC)C(=O)O
InChIKey	UBHTYWNJBMNVHI-SFTDATJTSA-O