H-Ala-Gly-Leu-Leu-Asp-Ile-Leu-Gly-Leu-NH2
PubChem CID: 102532774
Connections displayed (default: 10).
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| Topological Polar Surface Area | 339.0 |
|---|---|
| Hydrogen Bond Donor Count | 11.0 |
| Heavy Atom Count | 62.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1560.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 8.0 |
| Iupac Name | (3S)-4-[[(2S,3S)-1-[[(2S)-1-[[2-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-aminopropanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoic acid |
| Prediction Hob | 0.0 |
| Xlogp | -0.9 |
| Molecular Formula | C41H74N10O11 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PILNVRHVUKUENI-QKWDQXPQSA-N |
| Fcsp3 | 0.7560975609756098 |
| Logs | -1.732 |
| Rotatable Bond Count | 29.0 |
| Logd | 1.961 |
| Compound Name | H-Ala-Gly-Leu-Leu-Asp-Ile-Leu-Gly-Leu-NH2 |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 882.554 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 882.554 |
| Hydrogen Bond Acceptor Count | 12.0 |
| Molecular Weight | 883.1 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 8.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.066132399999999 |
| Inchi | InChI=1S/C41H74N10O11/c1-12-24(10)34(41(62)50-27(14-21(4)5)37(58)45-19-31(52)46-26(35(43)56)13-20(2)3)51-40(61)30(17-33(54)55)49-39(60)29(16-23(8)9)48-38(59)28(15-22(6)7)47-32(53)18-44-36(57)25(11)42/h20-30,34H,12-19,42H2,1-11H3,(H2,43,56)(H,44,57)(H,45,58)(H,46,52)(H,47,53)(H,48,59)(H,49,60)(H,50,62)(H,51,61)(H,54,55)/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)N)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