methyl (2S)-3-[[(3R,6S,9R,12S,15S)-12-benzyl-9-methyl-2,5,8,11,14-pentaoxo-6-propan-2-yl-1,4,7,10,13-pentazabicyclo[13.3.0]octadec-3-yl]sulfanyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Molecular Formula: C33H48N6O9S


InChI: InChI=1/C33H48N6O9S/c1-18(2)24-28(43)38-29(49-17-22(31(45)47-7)36-32(46)48-33(4,5)6)30(44)39-15-11-14-23(39)27(42)35-21(16-20-12-9-8-10-13-20)26(41)34-19(3)25(40)37-24/h8-10,12-13,18-19,21-24,29H,11,14-17H2,1-7H3,(H,34,41)(H,35,42)(H,36,46)(H,37,40)(H,38,43)/t19-,21+,22+,23+,24+,29-/m1/s1/f/h34-38H

InChIKey: InChIKey=CJYBFMPTQNSMOY-CFBJYOMXDG
SMILES: CC1C(=O)NC(C(=O)NC(C(=O)N2CCCC2C(=O)NC(C(=O)N1)CC3=CC=CC=C3)SCC(C(=O)OC)NC(=O)OC(C)(C)C)C(C)C

Names:
    methyl (2S)-3-[[(3R,6S,9R,12S,15S)-12-benzyl-9-methyl-2,5,8,11,14-pentaoxo-6-propan-2-yl-1,4,7,10,13-pentazabicyclo[13.3.0]octadec-3-yl]sulfanyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Registries:
    PubChem CID 10580614
    PubChem ID 15608741