(2S,3S,5R,6R)-3-[[2-[[3-[[(2R)-2,4-Dihydroxy-3,3-dimethyl-1-oxobutyl]amino]-1-oxopropyl]amino]ethyl]thio]-6-(1-hydroxy-1-methylethyl)-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
-
![(2S,3S,5R,6R)-3-[[2-[[3-[[(2R)-2,4-Dihydroxy-3,3-dimethyl-1-oxobutyl]amino]-1-oxopropyl]amino]ethyl]thio]-6-(1-hydroxy-1-methylethyl)-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/8a76b2c2bcc348a89c6d3447f66b358c.png "(2S,3S,5R,6R)-3-[[2-[[3-[[(2R)-2,4-Dihydroxy-3,3-dimethyl-1-oxobutyl]amino]-1-oxopropyl]amino]ethyl]thio]-6-(1-hydroxy-1-methylethyl)-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid")
(2S,3S,5R,6R)-3-[[2-[[3-[[(2R)-2,4-Dihydroxy-3,3-dimethyl-1-oxobutyl]amino]-1-oxopropyl]amino]ethyl]thio]-6-(1-hydroxy-1-methylethyl)-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
structure -
-
CAS No:
85414-26-2
-
Formula:
C21H35N3O8S
-
Chemical Name:
(2S,3S,5R,6R)-3-[[2-[[3-[[(2R)-2,4-Dihydroxy-3,3-dimethyl-1-oxobutyl]amino]-1-oxopropyl]amino]ethyl]thio]-6-(1-hydroxy-1-methylethyl)-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
-
Synonyms:
1-Azabicyclo[3.2.0]heptane-2-carboxylic acid,3-[[2-[[3-[[(2R)-2,4-dihydroxy-3,3-dimethyl-1-oxobutyl]amino]-1-oxopropyl]amino]ethyl]thio]-6-(1-hydroxy-1-methylethyl)-7-oxo-,(2S,3S,5R,6R)-;1-Azabicyclo[3.2.0]heptane-2-carboxylic acid,3-[[2-[[3-[(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)amino]-1-oxopropyl]amino]ethyl]thio]-6-(1-hydroxy-1-methylethyl)-7-oxo-,[2S-[2α,3α(S*),5α,6β]]-;(2S,3S,5R,6R)-3-[[2-[[3-[[(2R)-2,4-Dihydroxy-3,3-dimethyl-1-oxobutyl]amino]-1-oxopropyl]amino]ethyl]thio]-6-(1-hydroxy-1-methylethyl)-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;Antibiotic OA 6129E
-
CAS No:
(2S,3S,5R,6R)-3-[[2-[[3-[[(2R)-2,4-Dihydroxy-3,3-dimethyl-1-oxobutyl]amino]-1-oxopropyl]amino]ethyl]thio]-6-(1-hydroxy-1-methylethyl)-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Basic Attributes
489.6 g/mol
489.58
Drug Information
6-(1-hydroxy-1-methyl)ethyl-7-oxo-3-(pantetheinyl)-1-azabicyclo(3.2.0)heptane-2-carboxylic acid
Computed Properties
Molecular Weight:489.6
XLogP3:-1.1
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:12
Exact Mass:489.21448626
Monoisotopic Mass:489.21448626
Topological Polar Surface Area:202
Heavy Atom Count:33
Complexity:775
Defined Atom Stereocenter Count:4
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Learn More Other Chemicals
-
3,5-DIBROMO-2-[[[(3,5-DINITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
535965-38-9
-
3,5-DIBROMO-2-[[[[(2-CHLOROPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
532386-89-3
-
3,5-DIBROMO-2-[[[(4-METHYL-3-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
532943-48-9
-
3,5-DIBROMO-2-[[[[3-(2-FURANYL)-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID Formula
586392-09-8
-
3,5-DIBROMO-2-[[[[(2-METHYLPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID Formula
531548-30-8
-
2-(1,8-dibromo-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)benzoic acid Formula
333340-54-8
-
3,5-DIBROMO-2-[[[[3-(PHENOXYMETHYL)BENZOYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID Structure
586393-79-5
-
3,5-DIBROMO-2-[[[(4-CHLOROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID Structure
531530-32-2
-
What is 2-Cyclopentyl-3-(2,4-dichlorophenyl)-1,2,3,4-tetrahydro-1-oxo-4-isoquinolinecarboxylic acid
400073-92-9
-
What is 9-Octadecenoic acid (9Z)-, compd. with N,N-dimethylcyclohexanamine (1:1)
65122-23-8
Request for Quotation