(3S,6S,10S,11R,12S,13R,17S)-18-[(3,4-difluorophenyl)methyl]-11,12-dihydroxy-4-[(thiophen-2-yl)methyl]-22-oxa-1,4,7,15,18-pentaazatetracyclo[15.3.1.1³,⁶.1¹⁰,¹³]tricosane-2,8,16-trione

Compound number:
MolPort-039-099-970
IUPAC:
(3S,6S,10S,11R,12S,13R,17S)-18-[(3,4-difluorophenyl)methyl]-11,12-dihydroxy-4-[(thiophen-2-yl)methyl]-22-oxa-1,4,7,15,18-pentaazatetracyclo[15.3.1.1³,⁶.1¹⁰,¹³]tricosane-2,8,16-trione
IUPAC traditional:
(3S,6S,10S,11R,12S,13R,17S)-18-[(3,4-difluorophenyl)methyl]-11,12-dihydroxy-4-(thiophen-2-ylmethyl)-22-oxa-1,4,7,15,18-pentaazatetracyclo[15.3.1.1³,⁶.1¹⁰,¹³]tricosane-2,8,16-trione
SMILES:
O[C@H]1[C@@H](O)[C@@H]2CC(=O)N[C@H]3C[C@H](N(Cc4cccs4)C3)C(=O)N3CCN(Cc4ccc(F)c(F)c4)[C@@H](C3)C(=O)NC[C@H]1O2
InChI key:
CEBYHTKUVOLBEG-GBBUGFHMSA-N
Molecular formula:
C29H35F2N5O6S
Molecular weight: 619.68
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Supplier Catalogue Data


Catalog: Screening compound Ships out: 15 business days Purity: 96
Last updated: today In warehouse: 41.00 mg
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1 mg November 13, 2019 284.05 USD
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2 mg November 13, 2019 366.85 USD
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3 mg November 13, 2019 449.65 USD
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More Information

Compound Identifiers
Compound number: MolPort-039-099-970

Names, Synonyms and 3rd Party Identifiers

InChI
InChI: 1S/C29H35F2N5O6S/c30-19-4-3-16(8-20(19)31)12-34-5-6-35-15-22(34)28(40)32-11-24-27(39)26(38)23(42-24)10-25(37)33-17-9-21(29(35)41)36(13-17)14-18-2-1-7-43-18/h1-4,7-8,17,21-24,26-27,38-39H,5-6,9-15H2,(H,32,40)(H,33,37)/t17-,21-,22-,23-,24+,26-,27+/m0/s1
InChI key: CEBYHTKUVOLBEG-GBBUGFHMSA-N

Calculated Properties
Molecular formula: C29H35F2N5O6S
Molecular weight: 619.68

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2019 MolPort, v3.24, release date 22-10-2019 18:00 (+0200). All rights reserved.
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