| CAS Number | 4125-79-5 |
| Catalog Number | AG00CHQY(AGN-PC-0RQ96N) |
| Chemical Name | H-Arg(Z)2-OH |
| IUPAC Name | (2S)-2-amino-5-[bis(phenylmethoxycarbonylamino)methylideneamino]pentanoic acid |
| InChI | InChI=1S/C22H26N4O6/c23-18(19(27)28)12-7-13-24-20(25-21(29)31-14-16-8-3-1-4-9-16)26-22(30)32-15-17-10-5-2-6-11-17/h1-6,8-11,18H,7,12-15,23H2,(H,27,28)(H2,24,25,26,29,30)/t18-/m0/s1 |
| InChI Key | YVEVTHZNIALJHD-SFHVURJKSA-N |
| MDL Number | MFCD00083284 |
| Molecular Formula | C22H26N4O6 |
| Molecular Weight | 442.4650 |
| SMILES | O=C(O)[C@@H](N)CCCN(C(OCC1=CC=CC=C1)=O)C(NC(OCC2=CC=CC=C2)=O)=N |
| Synonyms | H-ARG(Z)2-OH,
4125-79-5,
H-Arg(Z)-OH,
ZINC15721406,
FT-0772743,
K-8725,
C-55179,
(S,E)-2-amino-5-(2,3-bis(benzyloxycarbonyl)guanidino)pentanoic acid,
H-ARG 2-OH,
CID11080721,
(2S)-2-amino-5-[bis(phenylmethoxycarbonylamino)methylideneamino]pentanoic Acid,
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| Complexity | 592 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 442.185235g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 32 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 442.5g/mol |
| Monoisotopic Mass | 442.185235g/mol |
| Rotatable Bond Count | 13 |
| Topological Polar Surface Area | 152Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number