| CAS Number | 72252-90-5 |
| Catalog Number | AG00FB6Q(AGN-PC-04ZCQ7) |
| Chemical Name | MeOSuc-Ala-Ala-Pro-Val-AMC |
| IUPAC Name | methyl 4-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(2S)-3-methyl-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoate |
| InChI | InChI=1S/C31H41N5O9/c1-16(2)27(30(42)34-20-9-10-21-17(3)14-26(39)45-23(21)15-20)35-29(41)22-8-7-13-36(22)31(43)19(5)33-28(40)18(4)32-24(37)11-12-25(38)44-6/h9-10,14-16,18-19,22,27H,7-8,11-13H2,1-6H3,(H,32,37)(H,33,40)(H,34,42)(H,35,41)/t18-,19-,22-,27-/m0/s1 |
| InChI Key | CMEUDEVBFFPSEI-NFHWZJRKSA-N |
| MDL Number | MFCD00077135 |
| Molecular Formula | C31H41N5O9 |
| Molecular Weight | 627.6853 |
| SMILES | COC(=O)CCC(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)Nc1ccc2c(c1)oc(=O)cc2C)C(C)C)C)C |
| Synonyms | methoxy-suc-Ala-Ala-Pro-Val-7-amino-4-methylcoumarin,
methoxy-succinyl-alanyl-alanyl-prolyl-valine-7-amino-4-methylcoumarin,
MSAAPVAMC,
MeOSuc-Ala-Ala-Pro-Val-AMC,
72252-90-5,
MeOSuc-Ala-Ala-Pro-Val-7-Amino-4-Methylcoumarin,
CHEMBL2370142,
Suc(OMe)-Ala-Ala-Pro-Val-MCA,
Methyl 4-((S)-1-((S)-1-((S)-2-((S)-3-methyl-1-(4-methyl-2-oxo-2H-chromen-7-ylamino)-1-oxobutan-2-ylcarbamoyl)pyrrolidin-1-yl)-1-oxopropan-2-ylamino)-1-oxopropan-2-ylamino)-4-oxobutanoate,
ZINC49952396,
C-54888,
methyl 3-{[(1S)-1-{[(2S)-1-[(2S)-2-{[(1S)-2-methyl-1-[(4-methyl-2-oxochromen-7-yl)carbamoyl]propyl]carbamoyl}pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl}ethyl]carbamoyl}propanoate,
Msaapvamc,
MeOSuc-AAPV-AMC,
Methoxy-suc-ala-ala-pro-val-7-amino-4-methylcoumarin,
Methoxy-succinyl-alanyl-alanyl-prolyl-valine-7-amino-4-methylcoumarin,
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| Complexity | 1200 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 4 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 627.29g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 45 |
| Hydrogen Bond Acceptor Count | 9 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 627.695g/mol |
| Monoisotopic Mass | 627.29g/mol |
| Rotatable Bond Count | 13 |
| Topological Polar Surface Area | 189A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number