Acetyl-Pepstatin is an inhibitor of aspartyl protease and HIV proteinase
CAT No: R1879
CAS No: 28575-34-0
Synonyms/Alias: Acetyl-pepstatin;Acetylpepstatin;28575-34-0;Acetyl pepstatin;(3S,4S)-4-[[(2S)-2-[[(3S,4S)-4-[[(2S)-2-[[(2S)-2-acetamido-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxy-6-methylheptanoyl]amino]propanoyl]amino]-3-hydroxy-6-methylheptanoic acid;Pepstatin A (acetate);L-Valinamide, N-(3-methyl-1-oxobutyl)-L-valyl-N-[4-[[2-[[1-(2-carboxy-1-hydroxyethyl)-3-methylbutyl]amino]-1-methyl-2-oxoethyl]amino]-2-hydroxy-1-(2-methylpropyl)-4-oxobutyl]-, monoacetate (ester), [1S-[1R*,2R*,4[R*[R*(R*)]]]]- (9CI);Pepstatin Ac;Pepsidin C;Pepsidine C;5hvp;N-Acetyl Pepstatin;MFCD00214071;(3S,4S)-4-[[(2S)-2-[[(3S,4S)-4-[[(2S)-2-[[(2S)-2-acetamido-3-methyl-butanoyl]amino]-3-methyl-butanoyl]amino]-3-hydroxy-6-methyl-heptanoyl]amino]propanoyl]amino]-3-hydroxy-6-methyl-heptanoic acid;S-PI;S-PI (pepsin inhibitor);CHEMBL301728;SCHEMBL10777706;DTXSID70182781;Pepsin inhibitor S-PI-D (8CI);HY-P1436;BDBM50368642;AKOS027470304;Pepstatin A, 1-(N-acetyl-L-valine)-;AS-86583;DA-50147;DA-50148;FA111026;Pepsin inhibitor (Streptomyces naniwaensis);Acetyl-Pepstatin Ac-Val-Val-Sta-Ala-Sta-OH;CS-0033333;(3S,4S)-4-[(2S)-2-[(3S,4S)-4-[(2S)-2-[(2S)-2-acetamido-3-methylbutanamido]-3-methylbutanamido]-3-hydroxy-6-methylheptanamido]propanamido]-3-hydroxy-6-methylheptanoic acid;L-Alaninamide, N-acetyl-L-valyl-L-valyl-(3S,4S)-4-amino-3-hydroxy-6-methylheptanoyl-N-[(1S)-1-[(1S)-2-carboxy-1-hydroxyethyl]-3-methylbutyl]- (9CI);L-valinamide, N-acetyl-L-valyl-N-[(1S,2S)-4-[[(1S)-2-[[(1S)-1-[(1S)-2-carboxy-1-hydroxyethyl]-3-methylbutyl]amino]-1-methyl-2-oxoethyl]amino]-2-hydroxy-1-(2-methylpropyl)-4-oxobutyl]-;
Chemical Name: (3S,4S)-4-[[(2S)-2-[[(3S,4S)-4-[[(2S)-2-[[(2S)-2-acetamido-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxy-6-methylheptanoyl]amino]propanoyl]amino]-3-hydroxy-6-methylheptanoic acid
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M.F/Formula | C31H57N5O9 |
M.W/Mr. | 643.8 |
Sequence | One Letter Code:VVXAX Three Letter Code:Ac-Val-Val-Sta-Ala-Sta-OH |
Purity | 0.95 |
Shipping Condition | RT, or blue ice upon request. |
InChI | InChI=1S/C31H57N5O9/c1-15(2)11-21(35-30(44)28(18(7)8)36-31(45)27(17(5)6)33-20(10)37)23(38)13-25(40)32-19(9)29(43)34-22(12-16(3)4)24(39)14-26(41)42/h15-19,21-24,27-28,38-39H,11-14H2,1-10H3,(H,32,40)(H,33,37)(H,34,43)(H,35,44)(H,36,45)(H,41,42)/t19-,21-,22-,23-,24-,27-,28-/m0/s1 |
InChI Key | WKYBEGDEGRCZNF-LBTYKNIQSA-N |
Canonical SMILES | CC(C)CC(C(CC(=O)O)O)NC(=O)C(C)NC(=O)CC(C(CC(C)C)NC(=O)C(C(C)C)NC(=O)C(C(C)C)NC(=O)C)O |
Isomeric SMILES | C[C@@H](C(=O)N[C@@H](CC(C)C)[C@H](CC(=O)O)O)NC(=O)C[C@@H]([C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)C)O |
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