3-Benzylsulfanyl-2-(S)-{[2-(bis-tert-butoxycarbonylmethyl-amino)-ethyl]- tert-butoxycarbonylmethyl-amino}-propionic Acidtert-Butyl Ester - CAS 1331899-92-3
Catalog: |
BB055112 |
Product Name: |
3-Benzylsulfanyl-2-(S)-{[2-(bis-tert-butoxycarbonylmethyl-amino)-ethyl]- tert-butoxycarbonylmethyl-amino}-propionic Acidtert-Butyl Ester |
CAS: |
1331899-92-3 |
Synonyms: |
3-Benzylsulfanyl-2-(S)-{[2-(bis-tert-butoxycarbonylmethyl-amino)-ethyl]- tert-butoxycarbonylmethyl-amino}-propionic Acidtert-Butyl Ester; tert-butyl (2R)-3-benzylsulfanyl-2-[2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoate; 3-Benzylsulfanyl-2-(S)-{[2-(bis-tert-butoxycarbonylmethyl-amino)-ethyl]- tert-butoxycarbonylmethyl-a; 3-Benzylsulfanyl-2-(S)-{[2-(bis-tert-butoxycarbonylmethyl-amino)-ethyl]-tert-butoxycarbonylmethyl-amino}-propionic Acidtert-Butyl Ester; 3-Benzylsulfanyl-2-(S)-{[2-(bis-tBoc-methyl-amino)-ethyl]-tBoc-methyl-amino}-propionic Acid tBu Ester |
IUPAC Name: | tert-butyl (2R)-3-benzylsulfanyl-2-[2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoate |
Description: | 3-Benzylsulfanyl-2-(S)-{[2-(bis-tert-butoxycarbonylmethyl-amino)-ethyl]- tert-butoxycarbonylmethyl-amino}-propionic Acidtert-Butyl Ester (cas# 1331899-92-3) is a compound useful in organic synthesis. |
Molecular Weight: | 652.88 |
Molecular Formula: | C34H56N2O8S |
Canonical SMILES: | CC(C)(C)OC(=O)CN(CCN(CC(=O)OC(C)(C)C)C(CSCC1=CC=CC=C1)C(=O)OC(C)(C)C)CC(=O)OC(C)(C)C |
InChI: | InChI=1S/C34H56N2O8S/c1-31(2,3)41-27(37)20-35(21-28(38)42-32(4,5)6)18-19-36(22-29(39)43-33(7,8)9)26(30(40)44-34(10,11)12)24-45-23-25-16-14-13-15-17-25/h13-17,26H,18-24H2,1-12H3/t26-/m0/s1 |
InChI Key: | LBVUQDRAXRBVLE-SANMLTNESA-N |
Solubility: | Acetone, Chloroform, Dichloromethane, Ethyl Acetate |
Appearance: | Yellow Oil |
Complexity: | 923 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 652.37573792 |
Formal Charge: | 0 |
Heavy Atom Count: | 45 |
Hydrogen Bond Acceptor Count: | 11 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 652.37573792 |
Rotatable Bond Count: | 23 |
Topological Polar Surface Area: | 137Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 6.1 |
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