Asterinin D

2-[[3-[[3-hydroxy-2-[2-(1H-pyrrole-2-carbonylamino)butanoylamino]propanoyl]amino]-3-phenylpropanoyl]amino]butanoic acid

Also Known As: Asterinin D|delta(2,4)-Pro-abu-ser-betaphe-abu|NCGC00384850-01|delta(2,4)-Pro-L-abu-L-ser-L-betaphe-L-abu|2,3,4,5-Tetradehydroprolyl-2-aminobutanoyl-seryl-3-phenyl-beta-alanyl-2-aminobutanoic acid|2-[[3-[[3-hydroxy-2-[2-(1H-pyrrole-2-carbonylamino)butanoylamino]propanoyl]amino]-3-phenylpropanoyl]amino]butanoic acid|2-({3-phenyl-3-[(n-{2-[(1h-pyrrol-2-ylcarbonyl)amino]butanoyl}seryl)amino]propanoyl}amino)butanoic acid|3,13-Diethyl-4,7,11-trihydroxy-6-(hydroxymethyl)-1-oxo-9-phenyl-1-(1H-pyrrol-2-yl)-2,5,8,12-tetraazatetradeca-4,7,11-trien-14-oic acid|Butanoic acid, 2,3,4,5-tetradehydroprolyl-L-2-aminobutanoyl-L-seryl-(R)-3-phenyl-beta-alanyl-L-2-amino-|NCGC00384850-01_C25H33N5O7_2-({3-Phenyl-3-[(N-{2-[(1H-pyrrol-2-ylcarbonyl)amino]butanoyl}seryl)amino]propanoyl}amino)butanoic acid

Molecular Formula	C25H33N5O7
Molecular Weight	515.238 g/mol
LogP	0.6
Topological Polar Surface Area	190.0 Ų
Hydrogen Bond Donors	7
Hydrogen Bond Acceptors	7
Rotatable Bonds	14
Exact Mass	515.238
Monoisotopic Mass	515.238
Heavy Atoms	37
Complexity	802.0

Chemical Identifiers

CAS Number	1998-78-3
SMILES	CCC(C(=O)NC(CO)C(=O)NC(CC(=O)NC(CC)C(=O)O)C1=CC=CC=C1)NC(=O)C2=CC=CN2
InChIKey	MSWRFBPAGLGJCX-UHFFFAOYSA-N