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

More details:

• Systematic name

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

• SMILES

  CC[C@@H](C)[C@H]([C@H](CC(=O)N1CCC[C@@H]1[C@@H](OC)[C@H](C)C(=O)NCCC1C=CC=CC=1)OC)N(C)C(=O)[C@H](NC(=O)[C@@H](C(C)C)N(C)C(=O)CCCCCN1C(=O)C=CC1=O)C(C)C.O=C=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+;/m1./s1

• Std. InChIKey

  WMBOUCBKWLVSOH-NSVUMXRNSA-N

• Cite this record

  CSID:111312673, http://www.chemspider.com/Chemical-Structure.111312673.html (accessed 16:26, May 15, 2024)