| CAS Number | 1947348-42-6 |
| Catalog Number | AG01ENJV(AGN-PC-3H45NJ) |
| Chemical Name | BOP (sodium) |
| IUPAC Name | sodium;(2S)-2-[[(2S)-1-(benzenesulfonyl)pyrrolidine-2-carbonyl]amino]-3-[4-(pyrrolidine-1-carbonyloxy)phenyl]propanoate |
| InChI | InChI=1S/C25H29N3O7S.Na/c29-23(22-9-6-16-28(22)36(33,34)20-7-2-1-3-8-20)26-21(24(30)31)17-18-10-12-19(13-11-18)35-25(32)27-14-4-5-15-27;/h1-3,7-8,10-13,21-22H,4-6,9,14-17H2,(H,26,29)(H,30,31);/q;+1/p-1/t21-,22-;/m0./s1 |
| InChI Key | PNMINTLPFWMZKM-VROPFNGYSA-M |
| MDL Number | MFCD30729653 |
| Molecular Formula | C25H28N3NaO7S |
| Molecular Weight | 537.5605 |
| SMILES | C(O[Na])(=O)[C@H](CC1=CC=C(OC(N2CCCC2)=O)C=C1)NC(=O)[C@@H]1CCCN1S(C1=CC=CC=C1)(=O)=O |
| Synonyms | 1947348-42-6,
AKOS032949736,
N-(Benzenesulfonyl)-L-prolyl-L-O-(1-pyrrolidinylcarbonyl)tyrosinesodiumsalt,
N-(Benzenesulfonyl)-L-prolyl-L-O-(1-pyrrolidinylcarbonyl)tyrosine sodium salt,
PNMINTLPFWMZKM-VROPFNGYSA-M,
BOP,
|
| Complexity | 893 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 537.155g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 37 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 537.563g/mol |
| Monoisotopic Mass | 537.155g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 145A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number