| CAS Number | 14009-92-8 |
| Catalog Number | AG001C0S(AGN-PC-0PP7RY) |
| Chemical Name | Ac-Trp-Onp |
| IUPAC Name | (4-nitrophenyl) (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate |
| InChI | InChI=1S/C19H17N3O5/c1-12(23)21-18(10-13-11-20-17-5-3-2-4-16(13)17)19(24)27-15-8-6-14(7-9-15)22(25)26/h2-9,11,18,20H,10H2,1H3,(H,21,23)/t18-/m0/s1 |
| InChI Key | QCLCPFXPLVJTLB-SFHVURJKSA-N |
| MDL Number | MFCD00037937 |
| Molecular Formula | C19H17N3O5 |
| Molecular Weight | 367.3554 |
| SMILES | CC(=O)NC(C(=O)Oc1ccc(cc1)[N+](=O)[O-])Cc1c[nH]c2c1cccc2 |
| Synonyms | AC-TRP-ONP,
14009-92-8,
(S)-4-Nitrophenyl 2-acetamido-3-(1H-indol-3-yl)propanoate,
AC1OE5GN,
SCHEMBL7903238,
ZINC2030378,
6114AH,
MFCD00037937,
AKOS027340101,
N-acetyl-l-tryptophan p-nitrophenyl ester,
Na-Acetyl-L-tryptophan 4-nitrophenyl ester,
FT-0772795,
K-4521,
C-48449,
(4-nitrophenyl) (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate,
(S)-2-(Acetylamino)-3-(1H-indol-3-yl)propanoic acid 4-nitrophenyl ester,
C19H17N3O5,
NSC270076,
CID6999650,
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| Complexity | 556 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 367.117g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 367.361g/mol |
| Monoisotopic Mass | 367.117g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 117A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number