| CAS Number | 813452-47-0 |
| Catalog Number | AG00ID6L(AGN-PC-0UJ9ZC) |
| Chemical Name | L-ORNITHINE,N5-[[[(2,3-DIHYDRO-2,2,4,6,7-PENTAMETHYL-5-BENZOFURANYL)SULFONYL]AMINO]IMINOMETHYL]-N2-[(9H-FLUOREN-9-YLMETHOXY)CARBONYL]-, METHYL ESTER |
| IUPAC Name | methyl (2S)-5-[[amino-[(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)sulfonylamino]methylidene]amino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoate |
| InChI | InChI=1S/C35H42N4O7S/c1-20-21(2)31(22(3)27-18-35(4,5)46-30(20)27)47(42,43)39-33(36)37-17-11-16-29(32(40)44-6)38-34(41)45-19-28-25-14-9-7-12-23(25)24-13-8-10-15-26(24)28/h7-10,12-15,28-29H,11,16-19H2,1-6H3,(H,38,41)(H3,36,37,39)/t29-/m0/s1 |
| InChI Key | GLAHUWPDLZEUTO-LJAQVGFWSA-N |
| MDL Number | MFCD27578751 |
| Molecular Formula | C35H42N4O7S |
| Molecular Weight | 662.7956 |
| SMILES | C(OC(N[C@@H](CCCNC(NS(=O)(=O)C=1C(C)=C2C(=C(C)C1C)OC(C)(C)C2)=N)C(OC)=O)=O)C3C=4C(C=5C3=CC=CC5)=CC=CC4 |
| Synonyms | 813452-47-0,
ZINC150655408,
L-Ornithine,N5-[[[(2,3-dihydro-2,2,4,6,7-pentamethyl-5-benzofuranyl)sulfonyl]amino]iminomethyl]-N2-[(9H-fluoren-9-ylmethoxy)carbonyl]-, methyl ester,
Fmoc-Arg(Pbf)-OMe,
|
| Complexity | 1230 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 662.277g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 47 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 662.802g/mol |
| Monoisotopic Mass | 662.277g/mol |
| Rotatable Bond Count | 13 |
| Topological Polar Surface Area | 167A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.4 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number