Cephabacin M6

3-[[6-amino-4-[[2-[[5-amino-2-[[2-[[5-amino-2-[[2-(2-aminopropanoylamino)-3-hydroxypropanoyl]amino]pentanoyl]amino]-3-methylbutanoyl]amino]pentanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxy-6-oxohexanoyl]oxymethyl]-7-[(5-amino-5-carboxypentanoyl)amino]-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Also Known As: Cephabacin M6|Cephabacin M(sub 6)|L-Valinamide, L-alanyl-L-seryl-L-ornithyl-L-valyl-L-ornithyl-N-(4-((7-((5-amino-5-carboxyl-1-oxopentyl)amino)-2-carboxy-7-methoxy-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-3-en-3-yl)methoxy)-1-(2-amino-2-oxoethyl)-2-hydroxy-4-oxobutyl)-, (6R-(6-alpha,7-alpha,7(R*)))-|3-[[6-amino-4-[[2-[[5-amino-2-[[2-[[5-amino-2-[[2-(2-aminopropanoylamino)-3-hydroxypropanoyl]amino]pentanoyl]amino]-3-methylbutanoyl]amino]pentanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxy-6-oxohexanoyl]oxymethyl]-7-[(5-amino-5-carboxypentanoyl)amino]-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid|7-(5-amino-5-carboxypentanamido)-3-(24-amino-6-(2-amino-2-oxoethyl)-12,18-bis(3-aminopropyl)-5-hydroxy-21-(hydroxymethyl)-9,15-diisopropyl-3,8,11,14,17,20,23-heptaoxo-2-oxa-7,10,13,16,19,22-hexaazapentacosyl)-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid|3-[[6-amino-4-[[2-[[5-amino-2-[[2-[[5-amino-2-[[2-(2-aminopropanoylamino)-3-hydroxypropanoyl]amino]pentanoyl]amino]-3-methylbutanoyl]amino]pentanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxy-6-oxohexanoyl]oxymethyl]-7-[(5-amino-6-hydroxy-6-oxohexanoyl)amino]-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Molecular Formula	C47H79N13O18S
Molecular Weight	1145.5387 g/mol
LogP	-6.511
Topological Polar Surface Area	521.77 Ų
Hydrogen Bond Donors	16
Hydrogen Bond Acceptors	21
Rotatable Bonds	36
Exact Mass	1145.5387
Monoisotopic Mass	1145.5387
Heavy Atoms	79
Complexity	2255.1387

Chemical Identifiers

CAS Number	99313-73-2
SMILES	CC(C)C(C(=O)NC(CCCN)C(=O)NC(C(C)C)C(=O)NC(CC(=O)N)C(CC(=O)OCC1=C(N2C(C(C2=O)(NC(=O)CCCC(C(=O)O)N)OC)SC1)C(=O)O)O)NC(=O)C(CCCN)NC(=O)C(CO)NC(=O)C(C)N