| CAS Number | 460754-33-0 |
| Catalog Number | AG00DEXB(AGN-PC-0RUAW2) |
| Chemical Name | (R)-N4-(Benzyloxy)-N1-((S)-1-((S)-2-((benzyloxy)methyl)pyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl)-2-pentylsuccinamide |
| IUPAC Name | (2R)-N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]butan-2-yl]-2-pentyl-N'-phenylmethoxybutanediamide |
| InChI | InChI=1S/C33H47N3O5/c1-4-5-8-18-28(21-30(37)35-41-23-27-16-11-7-12-17-27)32(38)34-31(25(2)3)33(39)36-20-13-19-29(36)24-40-22-26-14-9-6-10-15-26/h6-7,9-12,14-17,25,28-29,31H,4-5,8,13,18-24H2,1-3H3,(H,34,38)(H,35,37)/t28-,29+,31+/m1/s1 |
| InChI Key | UAKVQDJESYHMIP-HZFRXHCASA-N |
| MDL Number | MFCD11557537 |
| Molecular Formula | C33H47N3O5 |
| Molecular Weight | 565.7434 |
| SMILES | C(C1=CC=CC=C1)ONC(C[C@H](C(=O)N[C@H](C(=O)N1[C@@H](CCC1)COCC1=CC=CC=C1)C(C)C)CCCCC)=O |
| Synonyms | O-O-Dibenzyl-(-)-actinonin,
O,O-Dibenzyl (-)-Actinonin,
460754-33-0,
SCHEMBL6298387,
CTK8E7649,
DTXSID70458216,
ZINC72131176,
AKOS030242119,
RT-014825,
(2R)-N1-[(1S)-2-Methyl-1-[[(2S)-2-[(phenylmethoxy)methyl]-1-pyrrolidinyl]carbonyl]propyl]-2-pentyl-N4-(phenylmethoxy)butanediamide,
N4-Benzyloxy-N1-[1-(2-(S)-benzyloxy-methyl-pyrrolidine-1-carbonyl)-2-(S)-methyl-propyl]-2-(R)-pentylsuccinamide,
CID11192303,
CID 11192303,
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| Complexity | 779 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 565.352g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 41 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 565.755g/mol |
| Monoisotopic Mass | 565.352g/mol |
| Rotatable Bond Count | 17 |
| Topological Polar Surface Area | 97A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number