1-[[3-[bis(4-methoxyphenyl)methylcarbamoyl]-1-[[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]butyl]carbamoyl]propyl]carbamoyl]tridecan-2-yl (E,2S,5R)-5-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(2-methylpropan-2-yl)oxycarbonyl]propanoyl]amino]-2,7-dimethyl-oct-3-enoate
Molecular Formula:
C77H109N5O14
InChI: InChI=1/C77H109N5O14/c1-15-16-17-18-19-20-21-22-23-28-58(47-68(84)79-64(71(86)80-66(46-51(4)5)74(89)96-77(10,11)12)43-44-67(83)82-70(53-34-39-56(91-13)40-35-53)54-36-41-57(92-14)42-37-54)94-73(88)52(6)33-38-55(45-50(2)3)78-72(87)65(48-69(85)95-76(7,8)9)81-75(90)93-49-63-61-31-26-24-29-59(61)60-30-25-27-32-62(60)63/h24-27,29-42,50-52,55,58,63-66,70H,15-23,28,43-49H2,1-14H3,(H,78,87)(H,79,84)(H,80,86)(H,81,90)(H,82,83)/b38-33+/t52-,55-,58?,64u,65u,66u/m0/s1/f/h78-82H
InChIKey: InChIKey=PCSDQADTFQURJM-YAOAZJHNDR
SMILES: CCCCCCCCCCCC(CC(=O)NC(CCC(=O)NC(C1=CC=C(C=C1)OC)C2=CC=C(C=C2)OC)C(=O)NC(CC(C)C)C(=O)OC(C)(C)C)OC(=O)C(C)C=CC(CC(C)C)NC(=O)C(CC(=O)OC(C)(C)C)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
Names:
1-[[3-[bis(4-methoxyphenyl)methylcarbamoyl]-1-[[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]butyl]carbamoyl]propyl]carbamoyl]tridecan-2-yl (E,2S,5R)-5-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(2-methylpropan-2-yl)oxycarbonyl]propanoyl]amino]-2,7-dimethyl-oct-3-enoate
Registries:
PubChem CID 9920149
PubChem ID 14890617
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