Amipurimycin

2-[(2-aminocyclopentanecarbonyl)amino]-2-[6-(2-aminopurin-9-yl)-4-(1,2-dihydroxyethyl)-4,5-dihydroxyoxan-2-yl]acetic acid

Also Known As: Amipurimycin|Ampurimycin|Antibiotic T 36496|T 36496|2-[(2-aminocyclopentanecarbonyl)amino]-2-[6-(2-aminopurin-9-yl)-4-(1,2-dihydroxyethyl)-4,5-dihydroxyoxan-2-yl]acetic acid|9H-Purin-2-amine, 9-[6-[[(2-aminocyclopentyl)carbonyl]amino]-4,6-dideoxy-3-C-(1,2-dihydroxyethyl)heptopyranuronosyl]-|2-[(2-aminocyclopentanecarbonyl)amino]-2-[6-(2-aminopurin-9-yl)-4-(1,2-dihydroxyethyl)-4,5-dihydroxy-tetrahydropyran-2-yl]acetic acid|9-[6-{[(2-Aminocyclopentyl)(hydroxy)methylidene]amino}-4,6-dideoxy-3-C-(1,2-dihydroxyethyl)heptopyranuronosyl]-1,9-dihydro-2H-purin-2-imine

Molecular Formula	C20H29N7O8
Molecular Weight	495.20776 g/mol
LogP	-4.6
Topological Polar Surface Area	252.0 Ų
Hydrogen Bond Donors	8
Hydrogen Bond Acceptors	13
Rotatable Bonds	7
Exact Mass	495.20776
Monoisotopic Mass	495.20776
Heavy Atoms	35
Complexity	795.0

Chemical Identifiers

CAS Number	66872-77-3
SMILES	C1CC(C(C1)N)C(=O)NC(C2CC(C(C(O2)N3C=NC4=CN=C(N=C43)N)O)(C(CO)O)O)C(=O)O
InChIKey	BHAUQSKSOITMND-UHFFFAOYSA-N