L-Aspartic acid der.

2-[[2-chloro-5-[(2,4-diamino-5-methylquinazolin-6-yl)methylamino]benzoyl]amino]butanedioic acid

Also Known As: L-Aspartic acid der.|L-Aspartic acid, N-(2-chloro-5-(((2,4-diamino-5-methyl-6-quinazolinyl)methyl)amino)benzoyl)-|L-Aspartic acid,4-diamino-5-methyl-6-quinazolinyl)methyl]amino]benzoyl]-|Aspartic acid,4-diamino-5-methyl-6-quinazolinyl)methyl]amino]benzoyl]-, dihydrate, L-|2-[[2-chloro-5-[(2,4-diamino-5-methyl-quinazolin-6-yl)methylamino]benzoyl]amino]butanedioic acid|2-[[2-chloro-5-[(2,4-diamino-5-methylquinazolin-6-yl)methylamino]benzoyl]amino]butanedioic acid|2-{2-Chloro-5-[(2,4-diamino-5-methyl-quinazolin-6-ylmethyl)-amino]-benzoylamino}-succinic acid|L-Aspartic acid, N-[2-chloro-5-[[(2,4-diamino-5-methyl-6-quinazolinyl)methyl]amino]benzoyl]-|N-[(2-Chloro-5-{[(2,4-diimino-5-methyl-1,2,3,4-tetrahydroquinazolin-6-yl)methyl]amino}phenyl)(hydroxy)methylidene]aspartic acid

Molecular Formula	C21H21ClN6O5
Molecular Weight	472.1262 g/mol
LogP	1.7
Topological Polar Surface Area	194.0 Ų
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	10
Rotatable Bonds	8
Exact Mass	472.1262
Monoisotopic Mass	472.1262
Heavy Atoms	33
Complexity	729.0

Chemical Identifiers

CAS Number	136242-97-2
SMILES	CC1=C(C=CC2=C1C(=NC(=N2)N)N)CNC3=CC(=C(C=C3)Cl)C(=O)NC(CC(=O)O)C(=O)O
InChIKey	SGUMXALIXOMJSH-UHFFFAOYSA-N