H-Ala-Gly-Leu-Leu-Asp-Ile-Leu-Gly-Leu-OH
PubChem CID: 10509910
Connections displayed (default: 10).
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| Topological Polar Surface Area | 333.0 |
|---|---|
| Hydrogen Bond Donor Count | 11.0 |
| Heavy Atom Count | 62.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1550.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 8.0 |
| Iupac Name | (2S)-2-[[2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-aminopropanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-4-methylpentanoic acid |
| Prediction Hob | 0.0 |
| Xlogp | -0.1 |
| Molecular Formula | C41H73N9O12 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WJNHUXKXUNXSEJ-QKWDQXPQSA-N |
| Fcsp3 | 0.7560975609756098 |
| Logs | -2.021 |
| Rotatable Bond Count | 29.0 |
| Logd | 1.789 |
| Compound Name | H-Ala-Gly-Leu-Leu-Asp-Ile-Leu-Gly-Leu-OH |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 883.538 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 883.538 |
| Hydrogen Bond Acceptor Count | 13.0 |
| Molecular Weight | 884.1 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 8.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.015533199999998 |
| Inchi | InChI=1S/C41H73N9O12/c1-12-24(10)34(40(60)49-26(13-20(2)3)36(56)44-19-32(52)46-30(41(61)62)16-23(8)9)50-39(59)29(17-33(53)54)48-38(58)28(15-22(6)7)47-37(57)27(14-21(4)5)45-31(51)18-43-35(55)25(11)42/h20-30,34H,12-19,42H2,1-11H3,(H,43,55)(H,44,56)(H,45,51)(H,46,52)(H,47,57)(H,48,58)(H,49,60)(H,50,59)(H,53,54)(H,61,62)/t24-,25-,26-,27-,28-,29-,30-,34-/m0/s1 |
| Smiles | CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](C)N |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Crossopetalum Gaumeri (Plant) Rel Props:Source_db:cmaup_ingredients