| Sonrisas canónicas | CCC(C)C(C(CC(=O)N1CCCC1C(C(C)C(=O)NC(C)C(C2=CC=CC=C2)O)OC)OC)N(C)C(=O)C(C(C)C)NC(=O)C(C(C)C)N(C)C(=O)OCC3=CC=C(C=C3)NC(=O)C(CCCNC(=O)N)NC(=O)C(C(C)C)NC(=O)C(CN)N4C(=O)C=CC4=O |
|---|---|
| IUPAC Name | [4-[[(2S)-2-[[(2S)-2-[[(2S)-3-amino-2-(2,5-dioxopyrrol-1-yl)propanoyl]amino]-3-methylbutanoyl]amino]-5-(carbamoylamino)pentanoyl]amino]phenyl]methyl N-[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-N-methylcarbamate |
| InChIKey | QJDGTZXZKQAVTL-IIMIZLLVSA-N |
| INCHI | 1S/C65H100N12O15/c1-15-39(8)55(48(90-13)33-51(80)76-32-20-24-46(76)57(91-14)40(9)58(82)69-41(10)56(81)43-21-17-16-18-22-43)74(11)63(87)53(37(4)5)73-62(86)54(38(6)7)75(12)65(89)92-35-42-25-27-44(28-26-42)70-59(83)45(23-19-31-68-64(67)88)71-61(85)52(36(2)3)72-60(84)47(34-66)77-49(78)29-30-50(77)79/h16-18,21-22,25-30,36-41,45-48,52-57,81H,15,19-20,23-24,31-35,66H2,1-14H3,(H,69,82)(H,70,83)(H,71,85)(H,72,84)(H,73,86)(H3,67,68,88)/t39-,40+,41+,45-,46-,47-,48+,52-,53-,54-,55-,56+,57+/m0/s1 |
| Isómeros SMILES | CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C)C(=O)N[C@H](C)[C@H](C2=CC=CC=C2)O)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)N(C)C(=O)OCC3=CC=C(C=C3)NC(=O)[C@H](CCCNC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CN)N4C(=O)C=CC4=O |
| PubChem CID | 118509351 |
| Peso molecular | 1289.6 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →| Peso molecular | 1289.600 g/mol |
|---|---|
| XLogP3 | 3.000 |
| Hydrogen Bond Donor Count | 9 |
| Hydrogen Bond Acceptor Count | 16 |
| Rotatable Bond Count | 36 |
| Exact Mass | 1288.74 Da |
| Monoisotopic Mass | 1288.74 Da |
| Topological Polar Surface Area | 373.000 Ų |
| Heavy Atom Count | 92 |
| Formal Charge | 0 |
| Complexity | 2500.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 13 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
