Antibiotic tan-592B

(6R,7S)-7-[(5-amino-5-carboxypentanoyl)amino]-3-[[(4S)-4-[[(2R,3R,5S)-1,5-diamino-3,6-dihydroxy-1,4-dioxohexan-2-yl]amino]-7-(diaminomethylideneamino)-3-hydroxyheptanoyl]oxymethyl]-7-formamido-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;hydrochloride

Also Known As: Antibiotic tan-592B|Cephabacin F5 hydrochloride|TAN-592B|(6R,7S)-7-[(5-amino-5-carboxypentanoyl)amino]-3-[[(4S)-4-[[(2R,3R,5S)-1,5-diamino-3,6-dihydroxy-1,4-dioxohexan-2-yl]amino]-7-(diaminomethylideneamino)-3-hydroxyheptanoyl]oxymethyl]-7-formamido-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;hydrochloride|(6R,7S)-7-(5-amino-5-carboxypentanamido)-3-((((4S)-4-(((2R,3R,5S)-1,5-diamino-3,6-dihydroxy-1,4-dioxohexan-2-yl)amino)-7-guanidino-3-hydroxyheptanoyl)oxy)methyl)-7-formamido-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid hydrochloride|(6R,7S)-7-[(5-amino-6-hydroxy-6-oxohexanoyl)amino]-3-[[(4S)-4-[[(2R,3R,5S)-1,5-diamino-3,6-dihydroxy-1,4-dioxohexan-2-yl]amino]-7-(diaminomethylideneamino)-3-hydroxyheptanoyl]oxymethyl]-7-formamido-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid hydrochloride|L-Serinamide, L-seryl-N-(4-((7-((5-amino-5-carboxy-1-oxopentyl)amino)-2-carboxy-7-(fromylamino)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-3-yl)methoxy)-1-(3-((aminoiminiumethyl)amino)propyl)-2-hydroxy-4-oxobutyl)-, monohydrochloride, (6R-(3(1S*,2R*),6alpha,7beta(R*)))-

Molecular Formula	C29H47ClN10O14S
Molecular Weight	826.26825 g/mol
LogP	-6.7878
Topological Polar Surface Area	428.73 Ų
Hydrogen Bond Donors	13
Hydrogen Bond Acceptors	17
Rotatable Bonds	25
Exact Mass	826.26825
Monoisotopic Mass	826.26825
Heavy Atoms	55
Complexity	1518.0353

Chemical Identifiers

CAS Number	99685-75-3
SMILES	C1C(=C(N2[C@H](S1)[C@@](C2=O)(NC=O)NC(=O)CCCC(C(=O)O)N)C(=O)O)COC(=O)CC([C@H](CCCN=C(N)N)N[C@H]([C@H](C(=O)[C@H](CO)N)O)C(=O)N)O.Cl