| Synonyms |
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;S-PI;S-PI (pepsin inhibitor);(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;CHEMBL301728;SCHEMBL10777706;DTXSID70182781;Pepsin inhibitor S-PI-D (8CI);HY-P1436;BDBM50368642;MFCD00214071;AKOS027470304;Pepstatin A, 1-(N-acetyl-L-valine)-;DA-50147;DA-50148;Pepsin inhibitor (Streptomyces naniwaensis);CS-0033333;J-017129;(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]-; |
| IUPAC 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 |
| Molecular Weight |
458.5 |
| Molecular Formula |
C22H24F2N6O3 |
| Canonical SMILES |
C1CC2CCC1[C@@H]([C@H]2NC3=NC(=NC(=C3F)C4CC4)C5=C6C=C(C=NC6=NN5)F)C(=O)O.O |
| 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 |
| InChIKey |
WKYBEGDEGRCZNF-LBTYKNIQSA-N |
| Boiling Point |
992.8°C at 760 mmHg |
| Purity |
95% |
| Density |
1.142 g/cm3 |
| Appearance |
White or Off-white Powder |
| Storage |
Please store the product under the recommended conditions in the Certificate of Analysis. |
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