957764 Purity
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Specification
The molecular formula is C45H43N3O7.
The synonyms are 957780-59-5, Fmoc-Asn(Trt)-Thr(Psime,Mepro)-OH, Fmoc-Asn(Trt)-Thr(Psi(Me,Me)pro)-OH, (4S,5R)-3-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxo-4-(tritylamino)butanoyl]-2,2,5-trimethyl-1,3-oxazolidine-4-carboxylic acid, and (5R)-3-[(2S)-2-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-1,4-dioxo-4-[(triphenylmethyl)amino]butyl]-2,2,5-trimethyl-4-oxazolidinecarboxylic acid.
The molecular weight is 737.8 g/mol.
It was created on July 12, 2014.
It was last modified on December 30, 2023.
The IUPAC name is (4S,5R)-3-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxo-4-(tritylamino)butanoyl]-2,2,5-trimethyl-1,3-oxazolidine-4-carboxylic acid.
The InChI is InChI=1S/C45H43N3O7/c1-29-40(42(51)52)48(44(2,3)55-29)41(50)38(46-43(53)54-28-37-35-25-15-13-23-33(35)34-24-14-16-26-36(34)37)27-39(49)47-45(30-17-7-4-8-18-30,31-19-9-5-10-20-31)32-21-11-6-12-22-32/h4-26,29,37-38,40H,27-28H2,1-3H3,(H,46,53)(H,47,49)(H,51,52)/t29-,38+,40+/m1/s1.
The InChIKey is ANJHPIXXMBAZHL-CRSWUFPKSA-N.
The canonical SMILES is CC1C(N(C(O1)(C)C)C(=O)C(CC(=O)NC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)NC(=O)OCC5C6=CC=CC=C6C7=CC=CC=C57)C(=O)O.
The CAS number is 957780-59-5.