[(E)-4-[1-[[6-[[2-[(E)-4-(2-azanyl-3-methyl-butanoyl)oxybut-2-enoyl]-2,3-dihydro-1H-inden-1-yl]amino]-2,5-bis[(2-fluorophenyl)methoxy]-3,4-bis(oxidanyl)-6-oxidanylidene-hexanoyl]amino]-2,3-dihydro-1H-inden-2-yl]-4-oxidanylidene-but-2-enyl] 2-azanyl-3-methyl-butanoate

Systemtic Name: [(E)-4-[1-[[6-[[2-[(E)-4-(2-azanyl-3-methyl-butanoyl)oxybut-2-enoyl]-2,3-dihydro-1H-inden-1-yl]amino]-2,5-bis[(2-fluorophenyl)methoxy]-3,4-bis(oxidanyl)-6-oxidanylidene-hexanoyl]amino]-2,3-dihydro-1H-inden-2-yl]-4-oxidanylidene-but-2-enyl] 2-azanyl-3-methyl-butanoate Openeye Name: [(E)-4-[1-[[6-[[2-[(E)-4-(2-amino-3-methyl-butanoyl)oxybut-2-enoyl]indan-1-yl]amino]-2,5-bis[(2-fluorophenyl)methoxy]-3,4-dihydroxy-6-oxo-hexanoyl]amino]indan-2-yl]-4-oxo-but-2-enyl] 2-amino-3-methyl-butanoate CAS Name: 2-amino-3-methylbutanoic acid [(E)-4-[1-[[6-[[2-[(E)-4-(2-amino-3-methyl-1-oxobutoxy)-1-oxobut-2-enyl]-2,3-dihydro-1H-inden-1-yl]amino]-2,5-bis[(2-fluorophenyl)methoxy]-3,4-dihydroxy-1,6-dioxohexyl]amino]-2,3-dihydro-1H-inden-2-yl]-4-oxobut-2-enyl] ester IUPAC Name: [(E)-4-[1-[[6-[[2-[(E)-4-(2-amino-3-methylbutanoyl)oxybut-2-enoyl]-2,3-dihydro-1H-inden-1-yl]amino]-2,5-bis[(2-fluorophenyl)methoxy]-3,4-dihydroxy-6-oxohexanoyl]amino]-2,3-dihydro-1H-inden-2-yl]-4-oxobut-2-enyl] 2-amino-3-methylbutanoate Traditional Name: 2-amino-3-methyl-butyric acid [(E)-4-[1-[[6-[[2-[(E)-4-(2-amino-3-methyl-butanoyl)oxybut-2-enoyl]indan-1-yl]amino]-2,5-bis[(2-fluorobenzyl)oxy]-3,4-dihydroxy-6-keto-hexanoyl]amino]indan-2-yl]-4-keto-but-2-enyl] ester Formula: C56H64F2N4O12 MolecularWeight: 1023.123766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC=CC(=O)C1CC2=CC=CC=C2C1NC(=O)C(C(C(C(C(=O)NC3C(CC4=CC=CC=C34)C(=O)C=CCOC(=O)C(C(C)C)N)OCC5=CC=CC=C5F)O)O)OCC6=CC=CC=C6F)N

Isomeric SMILES

CC(C(N)C(=O)OC/C=C/C(=O)C1C(C2=CC=CC=C2C1)NC(=O)C(OCC3=CC=CC=C3F)C(O)C(O)C(OCC4=CC=CC=C4F)C(=O)NC5C6=CC=CC=C6CC5C(=O)/C=C/COC(=O)C(N)C(C)C)C

InChI

InChI=1S/C56H64F2N4O12/c1-31(2)45(59)55(69)71-25-13-23-43(63)39-27-33-15-5-9-19-37(33)47(39)61-53(67)51(73-29-35-17-7-11-21-41(35)57)49(65)50(66)52(74-30-36-18-8-12-22-42(36)58)54(68)62-48-38-20-10-6-16-34(38)28-40(48)44(64)24-14-26-72-56(70)46(60)32(3)4/h5-24,31-32,39-40,45-52,65-66H,25-30,59-60H2,1-4H3,(H,61,67)(H,62,68)/b23-13+,24-14+