L-Tryptophyl-L-proline | SBID = 1934 | Compound |
Structure
Molecular Properties
| Interactions: | 2 | ||
| PubChem TPSA/Å2: | 99.4 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | -1.0 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 3.0 | ||
| Number of H-Bond Acceptors: | 4.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 2.0 | ||
| 3D Volume/Å3: | 231.1 | ||
| Sum Formula: | C16H19N3O3 | ||
| M / g/mol: | 301.34 | ||
| Complexity: | 442.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags: peptide, typical guest
- Name: L-Tryptophyl-L-proline
- Preferred Abbreviation: L-Trp-L-Pro
- IUPAC Name: (2S)-1-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carboxylic acid
- CAS:
- CID: 9839333
- InChiKey: DXYQIGZZWYBXSD-JSGCOSHPSA-N
- InChi: InChI=1S/C16H19N3O3/c17-12(15(20)19-7-3-6-14(19)16(21)22)8-10-9-18-13-5-2-1-4-11(10)13/h1-2,4-5,9,12,14,18H,3,6-8,17H2,(H,21,22)/t12-,14-/m0/s1
- CanoSmiles: C1CC(N(C1)C(=O)C(CC2=CNC3=CC=CC=C32)N)C(=O)O
- IsoSmiles: C1C[C@H](N(C1)C(=O)[C@H](CC2=CNC3=CC=CC=C32)N)C(=O)O
