F71/PRD_000949
3-HYDROXY-N-[(2S,3R)-3-HYDROXY-4-([(2S)-2-METHYLBUTYL]{[5-(1,2-OXAZOL-5-YL)THIOPHEN-2-YL]SULFONYL}AMINO)-1-PHENYLBUTAN-2-YL]BENZAMIDE
F71/PRD_000949 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).
The representative PDB ID is 3SA6.
Find entries where PRD_000949 is present
Chemical Component Summary | |
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Name | 3-HYDROXY-N-[(2S,3R)-3-HYDROXY-4-([(2S)-2-METHYLBUTYL]{[5-(1,2-OXAZOL-5-YL)THIOPHEN-2-YL]SULFONYL}AMINO)-1-PHENYLBUTAN-2-YL]BENZAMIDE |
Identifiers | N-[(2S,3R)-4-[[(2S)-2-methylbutyl]-[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonyl-amino]-3-oxidanyl-1-phenyl-butan-2-yl]-3-oxidanyl-benzamide |
Formula | C29 H33 N3 O6 S2 |
Molecular Weight | 583.719 |
Type | NON-POLYMER |
Isomeric SMILES | CC[C@H](C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)c2cccc(c2)O)O)S(=O)(=O)c3ccc(s3)c4ccno4 |
InChI | InChI=1S/C29H33N3O6S2/c1-3-20(2)18-32(40(36,37)28-13-12-27(39-28)26-14-15-30-38-26)19-25(34)24(16-21-8-5-4-6-9-21)31-29(35)22-10-7-11-23(33)17-22/h4-15,17,20,24-25,33-34H,3,16,18-19H2,1-2H3,(H,31,35)/t20-,24-,25+/m0/s1 |
InChIKey | NZSGTDKPVPLULN-KSNOWIBYSA-N |
Composition | Polymer Sequences: 3HB-FI0-5TS |
BIRD class | INHIBITOR |
Represented As | SINGLE MOLECULE |
Compound Details | n/a |
Description | n/a |
Chemical Details | |
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Formal Charge | 0 |
Atom Count | 73 |
Chiral Atom Count | 3 |
Bond Count | 76 |
Aromatic Bond Count | 23 |
Related Resource References
Resource Name | Reference |
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PubChem | 56973519 |