[(5S,8S,11S,14S,17R,20S,23S,26S,29S,32S)-32-ethyl-1,4,10,14,17,19,22,25,28-nonamethyl-29-[(E,1R,2R)-2-methyl-1-oxidanyl-hex-4-enyl]-5,11,20,23-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecakis(oxidanylidene)-8,26-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacont-2-yl]methyl 5-[[4-[3-(trifluoromethyl)-1,2-diazirin-3-yl]phenyl]carbonylamino]pentanoate

Systemtic Name: [(5S,8S,11S,14S,17R,20S,23S,26S,29S,32S)-32-ethyl-1,4,10,14,17,19,22,25,28-nonamethyl-29-[(E,1R,2R)-2-methyl-1-oxidanyl-hex-4-enyl]-5,11,20,23-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecakis(oxidanylidene)-8,26-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacont-2-yl]methyl 5-[[4-[3-(trifluoromethyl)-1,2-diazirin-3-yl]phenyl]carbonylamino]pentanoate Openeye Name: [(5S,8S,11S,14S,17R,20S,23S,26S,29S,32S)-32-ethyl-29-[(E,1R,2R)-1-hydroxy-2-methyl-hex-4-enyl]-5,11,20,23-tetraisobutyl-8,26-diisopropyl-1,4,10,14,17,19,22,25,28-nonamethyl-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacont-2-yl]methyl 5-[[4-[3-(trifluoromethyl)diazirin-3-yl]benzoyl]amino]pentanoate CAS Name: 5-[[oxo-[4-[3-(trifluoromethyl)-3-diazirinyl]phenyl]methyl]amino]pentanoic acid [(5S,8S,11S,14S,17R,20S,23S,26S,29S,32S)-32-ethyl-29-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,10,14,17,19,22,25,28-nonamethyl-5,11,20,23-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-8,26-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacont-2-yl]methyl ester IUPAC Name: [(5S,8S,11S,14S,17R,20S,23S,26S,29S,32S)-32-ethyl-29-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,10,14,17,19,22,25,28-nonamethyl-5,11,20,23-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-8,26-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacont-2-yl]methyl 5-[[4-[3-(trifluoromethyl)diazirin-3-yl]benzoyl]amino]pentanoate Traditional Name: 5-[[4-[3-(trifluoromethyl)diazirin-3-yl]benzoyl]amino]valeric acid [(5S,8S,11S,14S,17R,20S,23S,26S,29S,32S)-32-ethyl-29-[(E,1R,2R)-1-hydroxy-2-methyl-hex-4-enyl]-5,11,20,23-tetraisobutyl-8,26-diisopropyl-3,6,9,12,15,18,21,24,27,30,33-undecaketo-1,4,10,14,17,19,22,25,28-nonamethyl-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacont-2-yl]methyl ester Formula: C77H125F3N14O15 MolecularWeight: 1543.89641

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(C(C(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N1)C(C(C)CC=CC)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)COC(=O)CCCCNC(=O)C2=CC=C(C=C2)C3(N=N3)C(F)(F)F)C

Isomeric SMILES

CC[C@H]1C(=O)N(C(C(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N1)[C@@H]([C@H](C)C/C=C/C)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)COC(=O)CCCCNC(=O)C2=CC=C(C=C2)C3(N=N3)C(F)(F)F)C

InChI

InChI=1S/C77H125F3N14O15/c1-25-27-30-48(15)63(96)62-68(101)84-53(26-2)70(103)92(22)58(41-109-59(95)31-28-29-36-81-65(98)51-32-34-52(35-33-51)76(86-87-76)77(78,79)80)73(106)88(18)55(38-43(5)6)67(100)85-60(46(11)12)74(107)89(19)54(37-42(3)4)66(99)82-49(16)64(97)83-50(17)69(102)90(20)56(39-44(7)8)71(104)91(21)57(40-45(9)10)72(105)93(23)61(47(13)14)75(108)94(62)24/h25,27,32-35,42-50,53-58,60-63,96H,26,28-31,36-41H2,1-24H3,(H,81,98)(H,82,99)(H,83,97)(H,84,101)(H,85,100)/b27-25+/t48-,49+,50-,53+,54+,55+,56+,57+,58?,60+,61+,62+,63-/m1/s1