| CAS Number | 16856-28-3 |
| Catalog Number | AG001Y5P(AGN-PC-0O4RW8) |
| Chemical Name | Z-Phe-Trp-OH |
| IUPAC Name | (2S)-3-(1H-indol-3-yl)-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoic acid |
| InChI | InChI=1S/C28H27N3O5/c32-26(30-25(27(33)34)16-21-17-29-23-14-8-7-13-22(21)23)24(15-19-9-3-1-4-10-19)31-28(35)36-18-20-11-5-2-6-12-20/h1-14,17,24-25,29H,15-16,18H2,(H,30,32)(H,31,35)(H,33,34)/t24-,25-/m0/s1 |
| InChI Key | XPJAHPOAFDDPPF-DQEYMECFSA-N |
| MDL Number | MFCD00191140 |
| Molecular Formula | C28H27N3O5 |
| Molecular Weight | 485.5311 |
| SMILES | O=C(NC(C(=O)NC(C(=O)O)Cc1c[nH]c2c1cccc2)Cc1ccccc1)OCc1ccccc1 |
| Synonyms | Z-Phe-Trp-OH,
16856-28-3,
(S)-2-((S)-2-(((Benzyloxy)carbonyl)amino)-3-phenylpropanamido)-3-(1H-indol-3-yl)propanoic acid,
ZINC5706809,
7958AH,
MFCD00191140,
AKOS022181530,
benzyloxycarbonyl phenylalanyl-tryptophan,
AJ-54597,
C-22836,
L-Tryptophan, N-[(phenylmethoxy)carbonyl]-L-phenylalanyl-,
(S)-2-((S)-2-(benzyloxycarbonylamino)-3-phenylpropanamido)-3-(1H-indol-3-yl)propanoic acid,
C28H27N3O5,
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| Complexity | 735 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 485.195g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 36 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 485.54g/mol |
| Monoisotopic Mass | 485.195g/mol |
| Rotatable Bond Count | 11 |
| Topological Polar Surface Area | 121A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
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Certificate of Analysis
Lot Number