| CAS Number | 245329-01-5 |
| Catalog Number | AG00C1HA(AGN-PC-0O871J) |
| Chemical Name | LRGILSAMIDE |
| IUPAC Name | (2S,3S)-N-[(2S)-1-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-2-[[2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-3-methylpentanamide |
| InChI | InChI=1S/C29H56N10O7/c1-7-17(6)23(28(46)37-20(12-16(4)5)27(45)38-21(14-40)24(31)42)39-22(41)13-35-26(44)19(9-8-10-34-29(32)33)36-25(43)18(30)11-15(2)3/h15-21,23,40H,7-14,30H2,1-6H3,(H2,31,42)(H,35,44)(H,36,43)(H,37,46)(H,38,45)(H,39,41)(H4,32,33,34)/t17-,18-,19-,20-,21-,23-/m0/s1 |
| InChI Key | HCUFWKYFOMBFPA-JYAZKYGWSA-N |
| MDL Number | MFCD11974999 |
| Molecular Formula | C29H56N10O7 |
| Molecular Weight | 656.8177 |
| SMILES | [H]N[C@H](C(N[C@H](C(NCC(N[C@H](C(N[C@H](C(N[C@H](C(N)=O)CO)=O)CC(C)C)=O)[C@H](CC)C)=O)=O)CCCNC(N)=N)=O)CC(C)C |
| Synonyms | leucyl-arginyl-glycyl-isoleucyl-leucyl-serinamide,
LRGILS-NH2,
LRGILS-NH2,
245329-01-5,
LRGILSAMIDE,
LRGILS-NH,
Leu-Arg-Gly-Ile-Leu-Ser-NH(2),
ZINC98052546,
AKOS024457602,
J-015555,
|
| Complexity | 1050 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 6 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 656.433344g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 46 |
| Hydrogen Bond Acceptor Count | 9 |
| Hydrogen Bond Donor Count | 10 |
| Isotope Atom Count | 0 |
| Molecular Weight | 656.8g/mol |
| Monoisotopic Mass | 656.433344g/mol |
| Rotatable Bond Count | 22 |
| Topological Polar Surface Area | 299Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number