Aspergillomarasmine A

(2S)-2-[[(2R)-2-[[(2R)-2-amino-2-carboxyethyl]amino]-2-carboxyethyl]amino]butanedioic acid

Also Known As: Aspergillomarasmine A|Toxin C (Pyrenophora teres)|toxin C, Pyrenophora teres|(R-(R*,R*))-N-(2-((2-Amino-2-carboxyethyl)amino)-2-carboxyethyl)-L-aspartic acid|2-((2-((2-AMINO-2-CARBOXYETHYL)AMINO)-2-CARBOXYETHYL)AMINO)BUTANEDIOIC ACID|L-Aspartic acid, N-(2-((2-amino-2-carboxyethyl)amino)-2-carboxyethyl)-, (R-(R*,R*))-|N-{2-[(2-Amino-2-carboxyethyl)amino]-2-carboxyethyl}aspartic acid|Aspartic acid, N-(2-((2-amino-2-carboxyethyl)amino)-2-carboxyethyl)-, D-|Aspartic acid, N-(2-((2-amino-2-carboxyethyl)amino)-2-carboxyethyl)-, D- (7CI,8CI)|N-((2R)-2-(((2R)-2-AMINO-2-CARBOXYETHYL)AMINO)-2-CARBOXYETHYL)-L-ASPARTIC ACID|N-[(2R)-2-{[(2R)-2-amino-2-carboxyethyl]amino}-2-carboxyethyl]-L-aspartic acid|N-[(R)-2-[[(R)-2-Amino-2-carboxyethyl]amino]-2-carboxyethyl]-L-aspartic acid|(2S)-2-[[(2R)-2-[[(2R)-2-amino-3-hydroxy-3-oxopropyl]amino]-3-hydroxy-3-oxopropyl]amino]butanedioic acid|(2S)-2-{[(2R)-2-{[(2R)-2-AMINO-2-CARBOXYETHYL]AMINO}-2-CARBOXYETHYL]AMINO}BUTANEDIOIC ACID|N-[(R)-2-[[(R)-2-Amino-3-oxo-3-hydroxypropyl]amino]-3-oxo-3-hydroxypropyl]-L-aspartic acid

Molecular Formula	C10H17N3O8
Molecular Weight	307.10156 g/mol
LogP	-10.0
Topological Polar Surface Area	199.0 Ų
Hydrogen Bond Donors	7
Hydrogen Bond Acceptors	11
Rotatable Bonds	11
Exact Mass	307.10156
Monoisotopic Mass	307.10156
Heavy Atoms	21
Complexity	413.0

Chemical Identifiers

CAS Number	3484-65-9
SMILES	C([C@@H](C(=O)O)NC[C@H](C(=O)O)NC[C@H](C(=O)O)N)C(=O)O
InChIKey	XFTWUNOVBCHBJR-NGJCXOISSA-N