Trp-met-gly | SBID = 1313 | Compound |
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | 163.0 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | -1.7 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 5.0 | ||
| Number of H-Bond Acceptors: | 6.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 2.0 | ||
| 3D Volume/Å3: | 299.5 | ||
| Sum Formula: | C18H24N4O4S | ||
| M / g/mol: | 392.5 | ||
| Complexity: | 534.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags:
- Name: Trp-met-gly
- Preferred Abbreviation: Trp-met-gly
- IUPAC Name: 2-[[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]acetic acid
- CAS:
- CID: 145458445
- InChiKey: RERRMBXDSFMBQE-ZFWWWQNUSA-N
- InChi: InChI=1S/C18H24N4O4S/c1-27-7-6-15(18(26)21-10-16(23)24)22-17(25)13(19)8-11-9-20-14-5-3-2-4-12(11)14/h2-5,9,13,15,20H,6-8,10,19H2,1H3,(H,21,26)(H,22,25)(H,23,24)/t13-,15-/m0/s1
- CanoSmiles: CSCCC(C(=O)NCC(=O)O)NC(=O)C(CC1=CNC2=CC=CC=C21)N
- IsoSmiles: CSCC[C@@H](C(=O)NCC(=O)O)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)N
