H-Phe-D-Pro-Trp-Leu-NH2
PubChem CID: 163190602
Connections displayed (default: 10).
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| Topological Polar Surface Area | 163.0 |
|---|---|
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 41.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 922.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (2R)-N-[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-1-[(2S)-2-amino-3-phenylpropanoyl]pyrrolidine-2-carboxamide |
| Prediction Hob | 0.0 |
| Xlogp | 2.5 |
| Molecular Formula | C31H40N6O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | UPEPKNCUFJAHRM-PGXSJUQOSA-N |
| Fcsp3 | 0.4193548387096774 |
| Logs | -2.948 |
| Rotatable Bond Count | 12.0 |
| Logd | 2.7 |
| Compound Name | H-Phe-D-Pro-Trp-Leu-NH2 |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 560.311 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 560.311 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 560.7 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.784565507317075 |
| Inchi | InChI=1S/C31H40N6O4/c1-19(2)15-25(28(33)38)35-29(39)26(17-21-18-34-24-12-7-6-11-22(21)24)36-30(40)27-13-8-14-37(27)31(41)23(32)16-20-9-4-3-5-10-20/h3-7,9-12,18-19,23,25-27,34H,8,13-17,32H2,1-2H3,(H2,33,38)(H,35,39)(H,36,40)/t23-,25-,26-,27+/m0/s1 |
| Smiles | CC(C)C[C@@H](C(=O)N)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@H]3CCCN3C(=O)[C@H](CC4=CC=CC=C4)N |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Crossopetalum Gaumeri (Plant) Rel Props:Source_db:cmaup_ingredients