Cas no 72615-20-4 (Propanamide,2-amino-N-[(3S,4R,4aR,5R,6R)-3-(dichloromethyl)-3,4,4a,5,6,7-hexahydro-5,6,8-trihydroxy-3-methyl-1-oxo-1H-2-benzopyran-4-yl]-,(2S)-)
![Propanamide,2-amino-N-[(3S,4R,4aR,5R,6R)-3-(dichloromethyl)-3,4,4a,5,6,7-hexahydro-5,6,8-trihydroxy-3-methyl-1-oxo-1H-2-benzopyran-4-yl]-,(2S)- structure](https://ossimg.kuujia.com/scimg/73000/72615-20-4x500.png)
72615-20-4 structure
Product Name:Propanamide,2-amino-N-[(3S,4R,4aR,5R,6R)-3-(dichloromethyl)-3,4,4a,5,6,7-hexahydro-5,6,8-trihydroxy-3-methyl-1-oxo-1H-2-benzopyran-4-yl]-,(2S)-
CAS No:72615-20-4
MF:C14H20Cl2N2O6
MW:383.224402427673
CID:569264
PubChem ID:54676871
Update Time:2025-04-19
Propanamide,2-amino-N-[(3S,4R,4aR,5R,6R)-3-(dichloromethyl)-3,4,4a,5,6,7-hexahydro-5,6,8-trihydroxy-3-methyl-1-oxo-1H-2-benzopyran-4-yl]-,(2S)- Chemical and Physical Properties
Names and Identifiers
-
- Propanamide,2-amino-N-[(3S,4R,4aR,5R,6R)-3-(dichloromethyl)-3,4,4a,5,6,7-hexahydro-5,6,8-trihydroxy-3-methyl-1-oxo-1H-2-benzopyran-4-yl]-,(2S)-
- bactobolin
- CHEBI:138579
- Y 12278
- AKOS040750701
- NSC-325014
- (-)-Bactobolin
- MLS002702960
- (2S)-N-[(3S,4R,4aR,5R,6R)-3-(dichloromethyl)-5,6,8-trihydroxy-3-methyl-1-oxo-4a,5,6,7-tetrahydro-4H-isochromen-4-yl]-2-amino-propanamide
- Antibiotic BN 183B
- SCHEMBL23359158
- Y-12278
- PROPANAMIDE, 2-AMINO-N-((3S,4R,4AR,5R,6R)-3-(DICHLOROMETHYL)-3,4,4A,5,6,7-HEXAHYDRO-5,6,8-TRIHYDROXY-3-METHYL-1-OXO-1H-2-BENZOPYRAN-4-YL)-, (2S)-
- 72615-20-4
- BN 183B
- Propanamide,4,4a,5,6,7-hexahydro-5,6,8-trihydroxy-3-methyl-1-oxo-1H-2-benzopyran-4-yl-, (3S-(3.alpha.,4.alpha.(R*),4a.beta.,5.beta.,6.alpha.))-
- DTXSID20222944
- (2S)-N-[(3S,4R,4aR,5R,6R)-3-(dichloromethyl)-1,5,6-trihydroxy-3-methyl-8-oxo-4a,5,6,7-tetrahydro-4H-isochromen-4-yl]-2-aminopropanamide
- Propanamide,4,4a,5,6,7-hexahydro-5,6,8-trihydroxy-3-methyl-1-oxo-1H-2-benzopyran-4-yl]-, [3S-[3.alpha.,4.alpha.(R*),4a.beta.,5.beta.,6.alpha.]]-
- NCI60_002819
- NSC 325014
- 2-Amino-N-[3-(dichloromethyl)-3,4,4a,5,6,7- hexahydro-5,6,8-trihydroxy-3-methyl-1-oxo-1H-2- benzopyran-4-yl], Propanamide
- Propanamide, 2-amino-N-(3-(dichloromethyl)-3,4,4a,5,6,7-hexahydro-5,6,8-trihydroxy-3-methyl-1-oxo-1H-2-benzopyran-4-yl)-, (3S-(3alpha,4alpha(R*),4abeta,5beta,6alpha))-
- SCHEMBL23370256
- UNII-EOF7S67HS2
- CHEMBL489472
- EOF7S67HS2
- NSC325014
- Propanamide, 2-amino-N-[3-(dichloromethyl)-3,4,4a,5,6,7-hexahydro-5,6,8-trihydroxy-3-methyl-1-oxo-1H-2-benzopyran-4-yl]-
- Propanamide, 2-amino-N-[3-(dichloromethyl)-3,4,4a,5,6,7-hexahydro-5,6,8-trihydroxy-3-methyl-1-oxo-1H-2-benzopyran-4-yl]-, [3S-[3.alpha.,4.alpha.(R*),4a.beta.,5.beta.,6.alpha.]]-
- Propanamide, 2-amino-N-[3-(dichloromethyl)-3,4,4a,5,6,7-hexahydro-5,6,8-trihydroxy-3-methyl-1-oxo-1H-2-benzopyran-4-yl-, (3S-(3.alpha.,4.alpha.(R*),4a.beta.,5.beta.,6.alpha.))-
- (2S)-N-[(3S,4R,4aR,5R,6R)-3-(dichloromethyl)-5,6,8-trihydroxy-3-methyl-1-oxo-4a,5,6,7-tetrahydro-4H-isochromen-4-yl]-2-aminopropanamide
-
- Inchi： 1S/C14H20Cl2N2O6/c1-4(17)11(22)18-10-8-7(5(19)3-6(20)9(8)21)12(23)24-14(10,2)13(15)16/h4,6,8-10,13,19-21H,3,17H2,1-2H3,(H,18,22)/t4-,6+,8-,9-,10+,14-/m0/s1
- InChI Key： RBCHRRIVFAIGFI-RGBMRXMBSA-N
- SMILES： ClC([C@]1(C)[C@@H]([C@H]2C(C(=O)O1)=C(C[C@H]([C@@H]2O)O)O)NC([C@H](C)N)=O)Cl
Computed Properties
- Exact Mass: 382.07
- Monoisotopic Mass: 382.0698418g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 24
- Rotatable Bond Count: 3
- Complexity: 584
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 6
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -0.3
- Topological Polar Surface Area: 142?2
Experimental Properties
- PSA: 142.11
Propanamide,2-amino-N-[(3S,4R,4aR,5R,6R)-3-(dichloromethyl)-3,4,4a,5,6,7-hexahydro-5,6,8-trihydroxy-3-methyl-1-oxo-1H-2-benzopyran-4-yl]-,(2S)- Related Literature
-
Jason Wan Lab Chip, 2020,20, 4528-4538
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
-
Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
-
Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
-
Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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