Catalog Number:
AG00ABQ5
Chemical Name:
1-Pyrrolidinecarboxylic acid, 2,2'-[[(6S)-6-phenyl-6H-indolo[1,2-c][1,3]benzoxazine-3,10-diyl]di-1H-imidazole-5,2-diyl]bis-, 1,1'-bis(1,1-dimethylethyl) ester, (2S,2'S)-, 4-nitrobenzoate
CAS Number:
1585969-26-1
Molecular Formula:
C59H59N9O13
Molecular Weight:
1102.1523
MDL Number:
MFCD29924771
IUPAC Name:
tert-butyl (2S)-2-[5-[(6S)-3-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-6-phenyl-6H-indolo[1,2-c][1,3]benzoxazin-10-yl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;4-nitrobenzoic acid
InChI:
InChI=1S/C45H49N7O5.2C7H5NO4/c1-44(2,3)56-42(53)50-20-10-14-35(50)39-46-25-32(48-39)28-17-19-34-30(22-28)23-37-31-18-16-29(24-38(31)55-41(52(34)37)27-12-8-7-9-13-27)33-26-47-40(49-33)36-15-11-21-51(36)43(54)57-45(4,5)6;2*9-7(10)5-1-3-6(4-2-5)8(11)12/h7-9,12-13,16-19,22-26,35-36,41H,10-11,14-15,20-21H2,1-6H3,(H,46,48)(H,47,49);2*1-4H,(H,9,10)/t35-,36-,41-;;/m0../s1
InChI Key:
IIZHPYRZKNFJSX-XAMNAXDHSA-N
SMILES:
O=C(N1CCC[C@H]1c1ncc([nH]1)c1ccc2c(c1)O[C@H](n1c2cc2c1ccc(c2)c1cnc([nH]1)[C@@H]1CCCN1C(=O)OC(C)(C)C)c1ccccc1)OC(C)(C)C.OC(=O)c1ccc(cc1)[N+](=O)[O-].OC(=O)c1ccc(cc1)[N+](=O)[O-]
