Enterobactin

N-[(3S,7S,11S)-7,11-bis[(2,3-dihydroxybenzoyl)amino]-2,6,10-trioxo-1,5,9-trioxacyclododec-3-yl]-2,3-dihydroxybenzamide

Also Known As: enterobactin|Enterochelin|Enterochellin|2xuz|H6ent|AC1Q1GXF|RefChem:388954|ENTEROBACTIN [MI]|AC1L1R7F|35C9R2N24F|(2,3-dihydroxybenzoylserine)3|orb1298062|SERBHKJMVBATSJ-BZSNNMDCSA-N|Enterobactin from Escherichia coli|Cyclotris(N-2,3-dihydroxybenzoyl-L-seryl)|tri-(2,3-dihydroxy-N-benzoyl-L-serine)-ester|tri-(N-(2,3-dihydroxybenzoyl)-L-serine)-ester|Chymosin preparation, Escherichia coli K-12|1,5,9-Trioxacyclododecane, benzamide deriv.|C05821|F77042|F863436|Q523354|A1011597|N,N',N''-[(3S,7S,11S)-2,6,10-trioxo-1,5,9-trioxacyclododecane-3,7,11-triyl]tris(2,3-dihydroxybenzamide)|N-(2,3-DIHYDROXYBENZOYL)-L-SERINE TRIMOLECULAR CYCLIC ESTER|N,N',N''-((3S,7S,11S)-2,6,10-Trioxo-1,5,9-trioxacyclododecane-3,7,11-triyl)tris(2,3-dihydroxybenzamide)|Benzamide, N,N',N''-(2,6,10-trioxo-1,5,9-trioxacyclododecane-3,7,11-triyl)tris(2,3-dihydroxy-, (3S-(3R*,7R*,11R*)))-|Benzamide, N,N',N''-(2,6,10-trioxo-1,5,9-trioxacyclododecane-3,7,11-triyl)tris[2,3-dihydroxy-, [3S-(3R*,7R*,11R*)]-|N,N',N''-((3S,7S,11S)-2,6,10- trioxo-1,5,9-trioxacyclododecane- 3,7,11-triyl)tris(2,3-dihydroxybenzamide)

Molecular Formula	C30H27N3O15
Molecular Weight	669.1442 g/mol
LogP	-0.74
Topological Polar Surface Area	287.58 Ų
Hydrogen Bond Donors	9
Hydrogen Bond Acceptors	15
Rotatable Bonds	6
Exact Mass	669.1442
Heavy Atoms	48
Complexity	1572.8

Chemical Identifiers

CAS Number	28384-96-5
SMILES	C1[C@@H](C(=O)OC[C@@H](C(=O)OC[C@@H](C(=O)O1)NC(=O)C2=C(C(=CC=C2)O)O)NC(=O)C3=C(C(=CC=C3)O)O)NC(=O)C4=C(C(=CC=C4)O)O