| CAS Number | 57850-17-6 |
| Catalog Number | AG00EDII(AGN-PC-0OCMR4) |
| Chemical Name | Z-Trp-Trp-OH |
| IUPAC Name | (2S)-3-(1H-indol-3-yl)-2-[[(2S)-3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoic acid |
| InChI | InChI=1S/C30H28N4O5/c35-28(33-27(29(36)37)15-21-17-32-25-13-7-5-11-23(21)25)26(14-20-16-31-24-12-6-4-10-22(20)24)34-30(38)39-18-19-8-2-1-3-9-19/h1-13,16-17,26-27,31-32H,14-15,18H2,(H,33,35)(H,34,38)(H,36,37)/t26-,27-/m0/s1 |
| InChI Key | IGVSKBFIFVGVSE-SVBPBHIXSA-N |
| MDL Number | MFCD00022760 |
| Molecular Formula | C30H28N4O5 |
| Molecular Weight | 524.5671 |
| SMILES | O=C(O)[C@@H](NC([C@@H](NC(OCC1=CC=CC=C1)=O)CC2=CNC3=C2C=CC=C3)=O)CC4=CNC5=C4C=CC=C5 |
| Synonyms | Z-TRP-TRP-OH,
57850-17-6,
C30H28N4O5,
KS-00000HAN,
IGVSKBFIFVGVSE-SVBPBHIXSA-N,
7970AH,
KM0150,
MFCD00022760,
AKOS030632829,
ZINC100227943,
DS-3270,
FT-0640493,
(S)-2-((S)-2-(benzyloxycarbonylamino)-3-(1H-indol-3-yl)propanamido)-3-(1H-indol-3-yl)propanoic acid,
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| Complexity | 849 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 524.206g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 39 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 5 |
| Isotope Atom Count | 0 |
| Molecular Weight | 524.577g/mol |
| Monoisotopic Mass | 524.206g/mol |
| Rotatable Bond Count | 11 |
| Topological Polar Surface Area | 136A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number