For research use only. Not for therapeutic Use.
Catalog Number | M092178 |
CAS Number | 141949-00-0 |
Synonyms | EE 581 |
Molecular Formula | C49H65N13O11S2 |
Purity | ≥95% |
Storage | Store at -20°C |
IUPAC Name | (2S)-2-[[(2R)-3-[(1aR)-1a,2-dihydrothiireno[2,3-b]indol-6b-yl]-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-(4-azidophenyl)propanoyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-N-[(2S,3R)-1-[[(2R)-2-(1,3-dihydroxybutan-2-ylamino)-3-sulfanylpropanoyl]amino]-3-hydroxy-1-oxobutan-2-yl]-6-iminohexanamide |
InChI | InChI=1S/C49H65N13O11S2/c1-25(53-42(68)33(51)20-28-11-15-30(16-12-28)61-62-52)41(67)56-36(21-29-13-17-31(66)18-14-29)44(70)57-37(22-49-32-8-4-5-9-34(32)58-48(49)75-49)45(71)55-35(10-6-7-19-50)43(69)59-40(27(3)65)47(73)60-46(72)39(24-74)54-38(23-63)26(2)64/h4-5,8-9,11-19,25-27,33,35-40,48,50,54,58,63-66,74H,6-7,10,20-24,51H2,1-3H3,(H,53,68)(H,55,71)(H,56,67)(H,57,70)(H,59,69)(H,60,72,73)/t25-,26?,27+,33+,35-,36-,37+,38?,39-,40-,48+,49?/m0/s1 |
InChIKey | UMMVUDFAAZGEKC-LOWOIFONSA-N |
SMILES | CC(C(CO)NC(CS)C(=O)NC(=O)C(C(C)O)NC(=O)C(CCCC=N)NC(=O)C(CC12C(S1)NC3=CC=CC=C23)NC(=O)C(CC4=CC=C(C=C4)O)NC(=O)C(C)NC(=O)C(CC5=CC=C(C=C5)N=[N+]=[N-])N)O |