[(E)-4-[1-[[6-[[2-[(E)-4-(2-azanyl-3-methyl-pentanoyl)oxybut-2-enoyl]-2,3-dihydro-1H-inden-1-yl]amino]-2,5-bis[fluoranyl(phenyl)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-pentanoate

Systemtic Name: [(E)-4-[1-[[6-[[2-[(E)-4-(2-azanyl-3-methyl-pentanoyl)oxybut-2-enoyl]-2,3-dihydro-1H-inden-1-yl]amino]-2,5-bis[fluoranyl(phenyl)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-pentanoate Openeye Name: [(E)-4-[1-[[6-[[2-[(E)-4-(2-amino-3-methyl-pentanoyl)oxybut-2-enoyl]indan-1-yl]amino]-2,5-bis[fluoro(phenyl)methoxy]-3,4-dihydroxy-6-oxo-hexanoyl]amino]indan-2-yl]-4-oxo-but-2-enyl] 2-amino-3-methyl-pentanoate CAS Name: 2-amino-3-methylpentanoic acid [(E)-4-[1-[[6-[[2-[(E)-4-(2-amino-3-methyl-1-oxopentoxy)-1-oxobut-2-enyl]-2,3-dihydro-1H-inden-1-yl]amino]-2,5-bis[fluoro(phenyl)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-methylpentanoyl)oxybut-2-enoyl]-2,3-dihydro-1H-inden-1-yl]amino]-2,5-bis[fluoro(phenyl)methoxy]-3,4-dihydroxy-6-oxohexanoyl]amino]-2,3-dihydro-1H-inden-2-yl]-4-oxobut-2-enyl] 2-amino-3-methylpentanoate Traditional Name: 2-amino-3-methyl-valeric acid [(E)-4-[1-[[6-[[2-[(E)-4-(2-amino-3-methyl-pentanoyl)oxybut-2-enoyl]indan-1-yl]amino]-2,5-bis[fluoro(phenyl)methoxy]-3,4-dihydroxy-6-keto-hexanoyl]amino]indan-2-yl]-4-keto-but-2-enyl] ester Formula: C58H68F2N4O12 MolecularWeight: 1051.176926

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Descriptors Computed from Structure

Canonical SMILES:

CCC(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)CC)N)OC(C5=CC=CC=C5)F)O)O)OC(C6=CC=CC=C6)F)N

Isomeric SMILES

CCC(C(N)C(=O)OC/C=C/C(=O)C1C(C2=CC=CC=C2C1)NC(=O)C(OC(F)C3=CC=CC=C3)C(O)C(O)C(OC(F)C4=CC=CC=C4)C(=O)NC5C6=CC=CC=C6CC5C(=O)/C=C/COC(=O)C(N)C(CC)C)C

InChI

InChI=1S/C58H68F2N4O12/c1-5-33(3)45(61)57(71)73-29-17-27-43(65)41-31-37-23-13-15-25-39(37)47(41)63-55(69)51(75-53(59)35-19-9-7-10-20-35)49(67)50(68)52(76-54(60)36-21-11-8-12-22-36)56(70)64-48-40-26-16-14-24-38(40)32-42(48)44(66)28-18-30-74-58(72)46(62)34(4)6-2/h7-28,33-34,41-42,45-54,67-68H,5-6,29-32,61-62H2,1-4H3,(H,63,69)(H,64,70)/b27-17+,28-18+