H-Phe-Val-Pro-Ile-Tyr-Met-NH2
PubChem CID: 10557109
Connections displayed (default: 10).
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| Topological Polar Surface Area | 251.0 |
|---|---|
| Hydrogen Bond Donor Count | 7.0 |
| Heavy Atom Count | 54.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1260.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 7.0 |
| Iupac Name | (2S)-N-[(2S,3S)-1-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-1-[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carboxamide |
| Prediction Hob | 0.0 |
| Xlogp | 3.4 |
| Molecular Formula | C39H57N7O7S |
| Prediction Swissadme | 0.0 |
| Inchi Key | YBRZZPQHPRPVSN-JKRCYJHESA-N |
| Fcsp3 | 0.5384615384615384 |
| Logs | -3.384 |
| Rotatable Bond Count | 20.0 |
| Logd | 3.365 |
| Compound Name | H-Phe-Val-Pro-Ile-Tyr-Met-NH2 |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 767.404 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 767.404 |
| Hydrogen Bond Acceptor Count | 9.0 |
| Molecular Weight | 768.0 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 7.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -7.330107244444445 |
| Inchi | InChI=1S/C39H57N7O7S/c1-6-24(4)33(38(52)43-30(22-26-14-16-27(47)17-15-26)36(50)42-29(34(41)48)18-20-54-5)45-37(51)31-13-10-19-46(31)39(53)32(23(2)3)44-35(49)28(40)21-25-11-8-7-9-12-25/h7-9,11-12,14-17,23-24,28-33,47H,6,10,13,18-22,40H2,1-5H3,(H2,41,48)(H,42,50)(H,43,52)(H,44,49)(H,45,51)/t24-,28-,29-,30-,31-,32-,33-/m0/s1 |
| Smiles | CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CCSC)C(=O)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)NC(=O)[C@H](CC3=CC=CC=C3)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