H-Phe-D-Pro-Trp-Pro-NH2
PubChem CID: 163186880
Connections displayed (default: 10).
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| Topological Polar Surface Area | 155.0 |
|---|---|
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 40.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 939.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (2R)-1-[(2S)-2-amino-3-phenylpropanoyl]-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide |
| Prediction Hob | 0.0 |
| Xlogp | 1.4 |
| Molecular Formula | C30H36N6O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PWIWCVBUQJLBEK-ZCLKUGBOSA-N |
| Fcsp3 | 0.4 |
| Logs | -2.437 |
| Rotatable Bond Count | 9.0 |
| Logd | 0.618 |
| Compound Name | H-Phe-D-Pro-Trp-Pro-NH2 |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 544.28 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 544.28 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 544.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.847367200000001 |
| Inchi | InChI=1S/C30H36N6O4/c31-22(16-19-8-2-1-3-9-19)29(39)36-15-7-13-26(36)28(38)34-24(30(40)35-14-6-12-25(35)27(32)37)17-20-18-33-23-11-5-4-10-21(20)23/h1-5,8-11,18,22,24-26,33H,6-7,12-17,31H2,(H2,32,37)(H,34,38)/t22-,24-,25-,26+/m0/s1 |
| Smiles | C1C[C@@H](N(C1)C(=O)[C@H](CC2=CC=CC=C2)N)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)N5CCC[C@H]5C(=O)N |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Crossopetalum Gaumeri (Plant) Rel Props:Source_db:cmaup_ingredients