| CAS Number | 21027-72-5 |
| Catalog Number | AG002KO3(AGN-PC-0O7QLO) |
| Chemical Name | L-Phenylalaninamide, glycyl-N-(4-nitrophenyl)- |
| IUPAC Name | (2S)-2-[(2-aminoacetyl)amino]-N-(4-nitrophenyl)-3-phenylpropanamide |
| InChI | InChI=1S/C17H18N4O4/c18-11-16(22)20-15(10-12-4-2-1-3-5-12)17(23)19-13-6-8-14(9-7-13)21(24)25/h1-9,15H,10-11,18H2,(H,19,23)(H,20,22)/t15-/m0/s1 |
| InChI Key | KNDZCZRECXTRHP-HNNXBMFYSA-N |
| MDL Number | MFCD00038182 |
| Molecular Formula | C17H18N4O4 |
| Molecular Weight | 342.3492 |
| SMILES | O=C(N)[C@H](CC1=CC=CC=C1)N(C(CN)=O)C2=CC=C([N+]([O-])=O)C=C2 |
| Synonyms | H-Gly-Phe-Pna,
21027-72-5,
Gly-Phe-pNA,
L-Phenylalaninamide, glycyl-N-(4-nitrophenyl)-,
Gly-Phe p-nitroanilide,
AC1OIBU4,
SCHEMBL2387136,
CTK0J8117,
ZINC4544865,
7166AH,
MFCD00038182,
AKOS030241193,
FT-0772438,
(S)-2-(2-aminoacetamido)-N-(4-nitrophenyl)-3-phenylpropanamide,
(2S)-2-[(2-aminoacetyl)amino]-N-(4-nitrophenyl)-3-phenylpropanamide,
C17H18N4O4,
CID7275799,
2-[(2-aminoacetyl)amino]-N-(4-nitrophenyl)-3-phenyl-propanamide,
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| Complexity | 466 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 342.133g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 342.355g/mol |
| Monoisotopic Mass | 342.133g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 130A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number