Cas no 89020-28-0 (Nbeta-Acetylstreptothricin D)
Nbeta-Acetylstreptothricin D structure
Product Name:Nbeta-Acetylstreptothricin D
CAS No:89020-28-0
MF:C33H60N12O11
MW:800.90330696106
CID:721632
PubChem ID:163567
Update Time:2024-03-01
Nbeta-Acetylstreptothricin D Chemical and Physical Properties
Names and Identifiers
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- 4H-Imidazo[4,5-c]pyridin-4-one,2-[[2-[[(3S)-3-(acetylamino)-6-[[(3S)-3-amino-6-[[(3S)-3,6-diamino-1-oxohexyl]amino]-1-oxohexyl]amino]-1-oxohexyl]amino]-4-O-(aminocarbonyl)-2-deoxy-b-D-gulopyranosyl]amino]-1,3a,5,6,7,7a-hexahydro-7-hydroxy-,(3aS,7R,7aS)- (9CI)
- N-beta-acetylstreptothricin D
- Nbeta-Acetylstreptothricin D
- AN 201 II
- Q27136045
- 4H-Imidazo(4,5-c)pyridin-4-one, 2-((2-((3-(acetylamino)-6-((3-amino-6-((3,6-diamino-1-oxohexyl)amino)-1-oxohexyl)amino)-1-oxohexyl)amino)-4-O-(aminocarbonyl)-2-deoxy-beta-D-gulopyranosyl)amino)-1,3a,5,6,7,7a-hexahydro-7-hydroxy-, (3aS-(2(R*(R*(R*))),3aalpha,7alpha,7abeta))-
- 4H-Imidazo(4,5-c)pyridin-4-one, 2-( (2-((3-(acetylamino)-6-((3-amino-6-((3,6-diamino-1-oxohexyl)amino)-1-oxohe
- CHEMBL1801946
- CHEBI:67577
- AN-201 II
- 89020-28-0
- 4H-Imidazo(4,5-c)pyridin-4-one, 2-( (2-((3-(acetylamino)-6-((3-amino-6-((3,6-diamino-1-oxohexyl)amino)-1-oxohexyl)amino)-1-oxohexyl)amino)-4-O-(aminocarbonyl)-2-deoxy-beta-D-gulopyranosyl)amino)-1,3a,5,6,7,7a-hexahydro-7-hydroxy-, (3aS-(2(R*(R*(R*))),3aalpha,7alpha,7abeta))-
- [(2R,3R,4S,5R,6R)-6-[[(3aS,7R,7aS)-7-hydroxy-4-oxo-1,3a,5,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-yl]amino]-5-[[(3S)-3-acetamido-6-[[(3S)-3-amino-6-[[(3S)-3,6-diaminohexanoyl]amino]hexanoyl]amino]hexanoyl]amino]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl] carbamate
- Antibiotic AN 201II
- 2-{[(3S)-3-Acetamido-6-{[(3S)-3-amino-6-{[(3S)-3,6-diaminohexanoyl]amino}hexanoyl]amino}hexanoyl]amino}-4-O-carbamoyl-2-deoxy-N-[(3aS,7R,7aS)-7-hydroxy-4-oxo-3a,4,5,6,7,7a-hexahydro-1H-imidazo[4,5-c]p yridin-2-yl]-beta-D-gulopyranosylamine
- (2R,3S,4R)-Nβ-acetylstreptothricin D
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- Inchi: 1S/C33H60N12O11/c1-16(47)41-19(7-4-10-39-23(50)12-18(36)6-3-9-38-22(49)11-17(35)5-2-8-34)13-24(51)42-27-28(52)29(56-32(37)54)21(15-46)55-31(27)45-33-43-25-20(48)14-40-30(53)26(25)44-33/h17-21,25-29,31,46,48,52H,2-15,34-36H2,1H3,(H2,37,54)(H,38,49)(H,39,50)(H,40,53)(H,41,47)(H,42,51)(H2,43,44,45)/t17-,18-,19-,20+,21+,25+,26-,27+,28-,29-,31+/m0/s1
- InChI Key: WPMGFKKSCCXUAK-YFZUDYRPSA-N
- SMILES: O1[C@H](CO)[C@@H]([C@H]([C@H]([C@@H]1NC1=N[C@@H]2C(NC[C@H]([C@H]2N1)O)=O)NC(C[C@H](CCCNC(C[C@H](CCCNC(C[C@H](CCCN)N)=O)N)=O)NC(C)=O)=O)O)OC(N)=O
Computed Properties
- Exact Mass: 800.45
- Monoisotopic Mass: 800.45
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 14
- Hydrogen Bond Acceptor Count: 15
- Heavy Atom Count: 56
- Rotatable Bond Count: 24
- Complexity: 1380
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 11
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 382
- XLogP3: -7.6
Experimental Properties
- Density: 1.63
- Refractive Index: 1.702
Nbeta-Acetylstreptothricin D Related Literature
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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