For research use only. Not for therapeutic Use.
Catalog Number | M093006 |
CAS Number | 153586-97-1 |
Molecular Formula | C45H66N11O21P |
Purity | ≥95% |
Storage | -20°C |
IUPAC Name | (4S)-5-amino-4-[[2-[[(2S)-1-[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-4-carboxybutanoyl]pyrrolidine-2-carbonyl]amino]-4-carboxybutanoyl]amino]-3-(4-phosphonooxyphenyl)propanoyl]amino]-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-5-oxopentanoic acid |
InChI | InChI=1S/C45H66N11O21P/c1-22(57)37(47)43(71)53-28(13-17-36(64)65)45(73)56-19-3-5-31(56)42(70)51-26(12-16-35(62)63)39(67)54-29(20-23-6-8-24(9-7-23)77-78(74,75)76)40(68)52-27(10-14-32(46)58)44(72)55-18-2-4-30(55)41(69)49-21-33(59)50-25(38(48)66)11-15-34(60)61/h6-9,22,25-31,37,57H,2-5,10-21,47H2,1H3,(H2,46,58)(H2,48,66)(H,49,69)(H,50,59)(H,51,70)(H,52,68)(H,53,71)(H,54,67)(H,60,61)(H,62,63)(H,64,65)(H2,74,75,76)/t22-,25+,26+,27+,28+,29+,30+,31+,37+/m1/s1 |
InChIKey | ZFZJMEIPRBWBDI-AEJKTUEUSA-N |
SMILES | CC(C(C(=O)NC(CCC(=O)O)C(=O)N1CCCC1C(=O)NC(CCC(=O)O)C(=O)NC(CC2=CC=C(C=C2)OP(=O)(O)O)C(=O)NC(CCC(=O)N)C(=O)N3CCCC3C(=O)NCC(=O)NC(CCC(=O)O)C(=O)N)N)O |