Pactamycate

[(4R,5S,6R,7R,8R,9S)-7-(3-acetylanilino)-6-amino-8,9-dihydroxy-4,9-dimethyl-2-oxo-3-oxa-1-azaspiro[4.4]nonan-8-yl]methyl 2-hydroxy-6-methylbenzoate

Also Known As: Pactamycate|KST-1B2500|Benzoic acid, 2-hydroxy-6-methyl-, (8-((3-acetylphenyl)amino)-9-amino-6,7-dihydroxy-4,6-dimethyl-2-oxo-3-oxa-1-azaspiro(4.4)non-7-yl)methyl ester, (5R-(5a(S*),6beta,7alpha,8beta,9alpha))-|{(4r,5s,6s,7r,8r,9r)-8-[(3-acetylphenyl)amino]-9-amino-6,7-dihydroxy-4,6-dimethyl-2-oxo-3-oxa-1-azaspiro[4.4]non-7-yl}methyl 2-hydroxy-6-methylbenzoate|((4S,5R,6S,7S,8S,9R)-7-(3-acetylanilino)-6-amino-8,9-dihydroxy-4,9-dimethyl-2-oxo-3-oxa-1-azaspiro(4.4)nonan-8-yl)methyl 2-hydroxy-6-methylbenzoate|[(1R,5S,6R,7R,8R,9S)-7-(3-acetylanilino)-6-amino-8,9-dihydroxy-1,9-dimethyl-3-oxo-2-oxa-4-azaspiro[4.4]nonan-8-yl]methyl 2-hydroxy-6-methylbenzoate|[(4R,5S,6R,7R,8R,9S)-7-(3-acetylanilino)-6-amino-8,9-dihydroxy-4,9-dimethyl-2-oxo-3-oxa-1-azaspiro[4.4]nonan-8-yl]methyl 2-hydroxy-6-methylbenzoate|[(4R,5S,6S,7R,8R,9R)-8-(3-Acetylanilino)-9-amino-6,7-dihydroxy-4,6-dimethyl-2-oxo-3-oxa-1-azaspiro[4.4]nonan-7-yl]methyl 2-hydroxy-6-methylbenzoate|[(4S,5R,6S,7S,8S,9R)-7-(3-acetylanilino)-6-amino-8,9-dihydroxy-4,9-dimethyl-2-oxo-3-oxa-1-azaspiro[4.4]nonan-8-yl]methyl 2-hydroxy-6-methylbenzoate|2-Hydroxy-6-methyl-benzoic acid (4S,5R,6R,7S,8S,9S)-8-(3-acetyl-phenylamino)-9-amino-6,7-dihydroxy-4,6-dimethyl-2-oxo-3-oxa-1-aza-spiro[4.4]non-7-ylmethyl ester|Benzoic acid, 2-hydroxy-6-methyl-, [8-[(3-acetylphenyl)amino]-9-amino-6,7-dihydroxy-4,6-dimethyl-2-oxo-3-oxa-1-azaspiro[4.4]non-7-yl]methyl ester, [5R-[5.alpha.(S*),6.beta.,7.alpha.,8.beta.,9.alpha.]]-|Benzoic acid,2-hydroxy-6-methyl-,[(4R,5S,6S,7R,8R,9R)-8-[(3-acetylphenyl)amino]-9-amino-6,7-dihydroxy-4,6-dimethyl-2-oxo-3-oxa-1-azaspiro[4.4]non-7-yl]methylester

Molecular Formula	C26H31N3O8
Molecular Weight	513.2111 g/mol
LogP	1.2
Topological Polar Surface Area	180.0 Ų
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	10
Rotatable Bonds	7
Exact Mass	513.2111
Monoisotopic Mass	513.2111
Heavy Atoms	37
Complexity	918.0

Chemical Identifiers

CAS Number	23754-55-4
SMILES	C[C@@H]1[C@]2([C@@H]([C@H]([C@]([C@@]2(C)O)(COC(=O)C3=C(C=CC=C3O)C)O)NC4=CC=CC(=C4)C(=O)C)N)NC(=O)O1
InChIKey	GRYVVIDCTCRLJM-BXSXBJHJSA-N