N-[6-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanoyl]-N-methyl-L-valyl-N-{(3R,4S,5S)-3-methoxy-1-[(2S)-2-{(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[(2-phenylethyl)amino]propyl}-1-pyrrolidinyl]-5-methyl-1-oxo -4-heptanyl}-N-methyl-L-valinamide - methanedione (1:1)

More details:

• Systematic name

  N-[6-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanoyl]-N-methyl-L-valyl-N-{(3R,4S,5S)-3-methoxy-1-[(2S)-2-{(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[(2-phenylethyl)amino]propyl}-1-pyrrolidinyl]-5-methyl-1-oxo -4-heptanyl}-N-methyl-L-valinamide - methanedione (1:1)

• SMILES

  CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C)C(=NCCC2=CC=CC=C2)O)OC)OC)N(C)C(=O)[C@H](C(C)C)N=C([C@H](C(C)C)N(C)C(=O)CCCCCN3C(=O)C=CC3=O)O.C(=O)=O CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C)C(=O)NCCc2ccccc2)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)N(C)C(=O)CCCCCN3C(=O)C=CC3=O.C(=O)=O

• Std. InChi

  InChI=1S/C48H76N6O9.CO2/c1-12-33(6)44(37(62-10)30-41(58)53-29-19-22-36(53)45(63-11)34(7)46(59)49-27-26-35-20-15-13-16-21-35)52(9)48(61)42(31(2)3)50-47(60)43(32(4)5)51(8)38(55)23-17-14-18-28-54-39(56)24-25-40(54)57;2-1-3/h13,15-16,20-21,24-25,31-34,36-37,42-45H,12,14,17-19,22-23,26-30H2,1-11H3,(H,49,59)(H,50,60);/t33-,34+,36-,37+,42-,43-,44-,45+;/m0./s1

• Std. InChIKey

  WMBOUCBKWLVSOH-JMBQDTGUSA-N

• Cite this record

  CSID:58785718, http://www.chemspider.com/Chemical-Structure.58785718.html (accessed 06:16, May 15, 2024)