H-gGlu-DL-Cys(1)-Gly-OH.H-gGlu-DL-Cys(1)-Gly-OH
PubChem CID: 44630308
Connections displayed (default: 10).
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| Compound Synonyms | SCHEMBL18744121, G0073 |
|---|---|
| Topological Polar Surface Area | 368.0 |
| Hydrogen Bond Donor Count | 10.0 |
| Heavy Atom Count | 40.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 879.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (2S)-2-amino-5-[[3-[[2-[[(4S)-4-amino-4-carboxybutanoyl]amino]-3-(carboxymethylamino)-3-oxopropyl]disulfanyl]-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid |
| Prediction Hob | 0.0 |
| Xlogp | -9.1 |
| Molecular Formula | C20H32N6O12S2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YPZRWBKMTBYPTK-JYBOHDQNSA-N |
| Fcsp3 | 0.6 |
| Logs | -1.818 |
| Rotatable Bond Count | 21.0 |
| Logd | -1.081 |
| Compound Name | H-gGlu-DL-Cys(1)-Gly-OH.H-gGlu-DL-Cys(1)-Gly-OH |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 612.152 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 612.152 |
| Hydrogen Bond Acceptor Count | 16.0 |
| Molecular Weight | 612.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 2.1576319999999987 |
| Inchi | InChI=1S/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/t9-,10-,11?,12?/m0/s1 |
| Smiles | C(CC(=O)NC(CSSCC(C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)C(=O)NCC(=O)O)[C@@H](C(=O)O)N |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Asparagus Officinalis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Beta Vulgaris (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Corymbia Citriodora (Plant) Rel Props:Source_db:cmaup_ingredients