| CAS Number | 53262-00-3 |
| Catalog Number | AG00DAYG(AGN-PC-0OBUQX) |
| Chemical Name | Z-LEU-TRP-OH |
| IUPAC Name | (2S)-3-(1H-indol-3-yl)-2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]propanoic acid |
| InChI | InChI=1S/C25H29N3O5/c1-16(2)12-21(28-25(32)33-15-17-8-4-3-5-9-17)23(29)27-22(24(30)31)13-18-14-26-20-11-7-6-10-19(18)20/h3-11,14,16,21-22,26H,12-13,15H2,1-2H3,(H,27,29)(H,28,32)(H,30,31)/t21-,22-/m0/s1 |
| InChI Key | OCRUSZPWPXFIFZ-VXKWHMMOSA-N |
| MDL Number | MFCD00191126 |
| Molecular Formula | C25H29N3O5 |
| Molecular Weight | 451.5149 |
| SMILES | CC(C[C@@H](C(=O)N[C@H](C(=O)O)Cc1c[nH]c2c1cccc2)NC(=O)OCc1ccccc1)C |
| Synonyms | Z-LEU-TRP-OH,
53262-00-3,
ZINC5706980,
7933AH,
MFCD00191126,
K-9658,
(S)-2-((S)-2-(benzyloxycarbonylamino)-4-methylpentanamido)-3-(1H-indol-3-yl)propanoic acid,
C25H29N3O5,
|
| Complexity | 664 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 451.211g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 33 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 451.523g/mol |
| Monoisotopic Mass | 451.211g/mol |
| Rotatable Bond Count | 11 |
| Topological Polar Surface Area | 121A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number