ethyl (2S)-2-{[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-yl]formamido}-3-phenylpropanoate



Compound number:
MolPort-044-561-676
CAS number: 4865-85-4
IUPAC:
ethyl (2S)-2-{[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-yl]formamido}-3-phenylpropanoate
IUPAC traditional:
ethyl (2S)-2-{[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-2-benzopyran-7-yl]formamido}-3-phenylpropanoate
SMILES:
CCOC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(Cl)c2C[C@@H](C)OC(=O)c2c1O
InChI key:
BPZZWRPHVVDAPT-PXAZEXFGSA-N
Molecular formula:
C22H22ClNO6
Molecular weight: 431.87
Solubility: not available

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Catalog: Screening compound Ships out: 20 business days Purity: >=95%
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Catalog: Building blocks Ships out: 15 business days Purity: 95%
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Catalog: Building blocks Ships out: 8 business days Purity: ≥95%
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Catalog: Building blocks Ships out: 5 business days Purity: ≥95%
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1 mg March 12, 2021 452.00 USD
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5 mg March 12, 2021 1553.00 USD
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More Information

Compound Identifiers
Compound number: MolPort-044-561-676
CAS number: 4865-85-4

Names, Synonyms and 3rd Party Identifiers
Name: ZINC000014616103
N-[[(3R)-5-chloro-3,4-dihydro-8-hydroxy-3-methyl-1-oxo-1H-2-benzopyran-7-yl]carbonyl]-L-phenylalanine, ethyl ester
Ochratoxin C

InChI
InChI: 1S/C22H22ClNO6/c1-3-29-21(27)17(10-13-7-5-4-6-8-13)24-20(26)15-11-16(23)14-9-12(2)30-22(28)18(14)19(15)25/h4-8,11-12,17,25H,3,9-10H2,1-2H3,(H,24,26)/t12-,17+/m1/s1
InChI key: BPZZWRPHVVDAPT-PXAZEXFGSA-N

Calculated Properties
Molecular formula: C22H22ClNO6
Molecular weight: 431.87

Other

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