tert-butyl 2-[3-[3-[[(2S)-5-[[azanyl-[(2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl)sulfonylamino]methylidene]amino]-2-[3-[6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoylamino]propanoylamino]pentanoyl]amino]propyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethanoate

Systemtic Name: tert-butyl 2-[3-[3-[[(2S)-5-[[azanyl-[(2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl)sulfonylamino]methylidene]amino]-2-[3-[6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoylamino]propanoylamino]pentanoyl]amino]propyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethanoate Openeye Name: tert-butyl 2-[3-[3-[[(2S)-5-[[amino-[(2,2,5,7,8-pentamethylchroman-6-yl)sulfonylamino]methylene]amino]-2-[3-[6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoylamino]propanoylamino]pentanoyl]amino]propyl-tert-butoxycarbonyl-amino]propyl-tert-butoxycarbonyl-amino]acetate CAS Name: 2-[3-[3-[[(2S)-5-[[amino-[(2,2,5,7,8-pentamethyl-3,4-dihydro-2H-1-benzopyran-6-yl)sulfonylamino]methylidene]amino]-2-[[3-[[6-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-1-oxohexyl]amino]-1-oxopropyl]amino]-1-oxopentyl]amino]propyl-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propyl-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[3-[3-[[(2S)-5-[[amino-[(2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl)sulfonylamino]methylidene]amino]-2-[3-[6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoylamino]propanoylamino]pentanoyl]amino]propyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate Traditional Name: 2-[3-[3-[[(2S)-5-[[amino-[(2,2,5,7,8-pentamethylchroman-6-yl)sulfonylamino]methylene]amino]-2-[3-[6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoylamino]propanoylamino]pentanoyl]amino]propyl-tert-butoxycarbonyl-amino]propyl-tert-butoxycarbonyl-amino]acetic acid tert-butyl ester Formula: C66H99N9O14S MolecularWeight: 1274.60916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C(=C1C)S(=O)(=O)NC(=NCCCC(C(=O)NCCCN(CCCN(CC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)NC(=O)CCNC(=O)CCCCCNC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)N)C)CCC(O2)(C)C

Isomeric SMILES

CC1=C2C(=C(C(=C1C)S(=O)(=O)NC(=NCCC[C@@H](C(=O)NCCCN(CCCN(CC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)NC(=O)CCNC(=O)CCCCCNC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)N)C)CCC(O2)(C)C

InChI

InChI=1S/C66H99N9O14S/c1-43-44(2)57(45(3)46-31-33-66(13,14)87-56(43)46)90(83,84)73-59(67)70-35-22-29-52(58(79)69-36-23-38-74(61(81)88-64(7,8)9)39-24-40-75(62(82)89-65(10,11)12)41-55(78)86-63(4,5)6)72-54(77)32-37-68-53(76)30-16-15-21-34-71-60(80)85-42-51-49-27-19-17-25-47(49)48-26-18-20-28-50(48)51/h17-20,25-28,51-52H,15-16,21-24,29-42H2,1-14H3,(H,68,76)(H,69,79)(H,71,80)(H,72,77)(H3,67,70,73)/t52-/m0/s1