AC1Q5VCM

2-[2-[[1-carboxy-4-(diaminomethylideneamino)-3-hydroxybutyl]amino]ethylamino]butanedioic acid

Also Known As: L 681176|L-681176|L-681,176|2-[2-[[1-carboxy-4-(diaminomethylideneamino)-3-hydroxybutyl]amino]ethylamino]butanedioic acid|(2S)-2-[2-[[1-carboxy-4-(diaminomethylideneamino)-3-hydroxybutyl]amino]ethylamino]butanedioic acid|2-{[2-({1-carboxy-4-[(diaminomethylidene)amino]-3-hydroxybutyl}amino)ethyl]amino}butanedioic acid(non-preferred name)|L-Aspartic acid, N-(2-((4-((aminoiminomethyl)amino)-1-carboxy-3-hydroxybutyl)amino)ethyl)-|2-[2-[[5-(diaminomethylideneamino)-1,4-dihydroxy-1-oxopentan-2-yl]amino]ethylamino]butanedioic acid

Molecular Formula	C12H23N5O7
Molecular Weight	349.15976 g/mol
LogP	-8.2
Topological Polar Surface Area	221.0 Ų
Hydrogen Bond Donors	8
Hydrogen Bond Acceptors	10
Rotatable Bonds	13
Exact Mass	349.15976
Monoisotopic Mass	349.15976
Heavy Atoms	24
Complexity	467.0

Chemical Identifiers

CAS Number	97339-24-7
SMILES	C(CNC(CC(=O)O)C(=O)O)NC(CC(CN=C(N)N)O)C(=O)O
InChIKey	UULSZYUKAFTXQP-UHFFFAOYSA-N