23X/PRD_000946
N~2~-ACETYL-N-[(2S,3R)-4-{(1,3-BENZOTHIAZOL-6-YLSULFONYL)[(2S)-2-METHYLBUTYL]AMINO}-3-HYDROXY-1-PHENYLBUTAN-2-YL]-L-ISOLEUCINAMIDE
23X/PRD_000946 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).
The representative PDB ID is 3SA3.
Find entries where PRD_000946 is present
Chemical Component Summary | |
---|---|
Name | N~2~-ACETYL-N-[(2S,3R)-4-{(1,3-BENZOTHIAZOL-6-YLSULFONYL)[(2S)-2-METHYLBUTYL]AMINO}-3-HYDROXY-1-PHENYLBUTAN-2-YL]-L-ISOLEUCINAMIDE |
Identifiers | (2S,3S)-2-acetamido-N-[(2S,3R)-4-[1,3-benzothiazol-6-ylsulfonyl-[(2S)-2-methylbutyl]amino]-3-oxidanyl-1-phenyl-butan-2-yl]-3-methyl-pentanamide |
Formula | C30 H42 N4 O5 S2 |
Molecular Weight | 602.808 |
Type | NON-POLYMER |
Isomeric SMILES | CC[C@H](C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)[C@H]([C@@H](C)CC)NC(=O)C)O)S(=O)(=O)c2ccc3c(c2)scn3 |
InChI | InChI=1S/C30H42N4O5S2/c1-6-20(3)17-34(41(38,39)24-13-14-25-28(16-24)40-19-31-25)18-27(36)26(15-23-11-9-8-10-12-23)33-30(37)29(21(4)7-2)32-22(5)35/h8-14,16,19-21,26-27,29,36H,6-7,15,17-18H2,1-5H3,(H,32,35)(H,33,37)/t20-,21-,26-,27+,29-/m0/s1 |
InChIKey | OVZSMGMZKQWSSF-IFFHWBOBSA-N |
Composition | Polymer Sequences: ACE-ILE-FI0-B6S |
BIRD class | INHIBITOR |
Represented As | SINGLE MOLECULE |
Compound Details | n/a |
Description | n/a |
Chemical Details | |
---|---|
Formal Charge | 0 |
Atom Count | 83 |
Chiral Atom Count | 5 |
Bond Count | 85 |
Aromatic Bond Count | 16 |
Related Resource References
Resource Name | Reference |
---|---|
PubChem | 56973516 |