methyl (2S)-6-[2-[[2-[2-(4-fluorophenyl)ethylamino]-2-oxidanylidene-ethyl]-[3-[[2-[2-(4-fluorophenyl)ethylamino]-2-oxidanylidene-ethyl]-[2-[[(5S)-6-methoxy-6-oxidanylidene-5-[(phenylmethyl)carbamoyloxy]hexyl]amino]-2-oxidanylidene-ethyl]carbamoyl]phenyl]carbonyl-amino]ethanoylamino]-2-[(phenylmethyl)carbamoyloxy]hexanoate

Systemtic Name: methyl (2S)-6-[2-[[2-[2-(4-fluorophenyl)ethylamino]-2-oxidanylidene-ethyl]-[3-[[2-[2-(4-fluorophenyl)ethylamino]-2-oxidanylidene-ethyl]-[2-[[(5S)-6-methoxy-6-oxidanylidene-5-[(phenylmethyl)carbamoyloxy]hexyl]amino]-2-oxidanylidene-ethyl]carbamoyl]phenyl]carbonyl-amino]ethanoylamino]-2-[(phenylmethyl)carbamoyloxy]hexanoate Openeye Name: methyl (2S)-2-(benzylcarbamoyloxy)-6-[[2-[[3-[[2-[[(5S)-5-(benzylcarbamoyloxy)-6-methoxy-6-oxo-hexyl]amino]-2-oxo-ethyl]-[2-[2-(4-fluorophenyl)ethylamino]-2-oxo-ethyl]carbamoyl]benzoyl]-[2-[2-(4-fluorophenyl)ethylamino]-2-oxo-ethyl]amino]acetyl]amino]hexanoate CAS Name: (2S)-6-[[2-[[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-[[3-[[[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-[2-[[(5S)-6-methoxy-6-oxo-5-[oxo-[(phenylmethyl)amino]methoxy]hexyl]amino]-2-oxoethyl]amino]-oxomethyl]phenyl]-oxomethyl]amino]-1-oxoethyl]amino]-2-[oxo-[(phenylmethyl)amino]methoxy]hexanoic acid methyl ester IUPAC Name: methyl (2S)-2-(benzylcarbamoyloxy)-6-[[2-[[3-[[2-[[(5S)-5-(benzylcarbamoyloxy)-6-methoxy-6-oxohexyl]amino]-2-oxoethyl]-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]carbamoyl]benzoyl]-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]amino]acetyl]amino]hexanoate Traditional Name: (2S)-2-(benzylcarbamoyloxy)-6-[[2-[[3-[[2-[[(5S)-5-(benzylcarbamoyloxy)-6-keto-6-methoxy-hexyl]amino]-2-keto-ethyl]-[2-[2-(4-fluorophenyl)ethylamino]-2-keto-ethyl]carbamoyl]benzoyl]-[2-[2-(4-fluorophenyl)ethylamino]-2-keto-ethyl]amino]acetyl]amino]hexanoic acid methyl ester Formula: C62H72F2N8O14 MolecularWeight: 1191.277086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCCCNC(=O)CN(CC(=O)NCCC1=CC=C(C=C1)F)C(=O)C2=CC(=CC=C2)C(=O)N(CC(=O)NCCCCC(C(=O)OC)OC(=O)NCC3=CC=CC=C3)CC(=O)NCCC4=CC=C(C=C4)F)OC(=O)NCC5=CC=CC=C5

Isomeric SMILES

COC(=O)[C@H](CCCCNC(=O)CN(CC(=O)NCCC1=CC=C(C=C1)F)C(=O)C2=CC(=CC=C2)C(=O)N(CC(=O)NCCCC[C@@H](C(=O)OC)OC(=O)NCC3=CC=CC=C3)CC(=O)NCCC4=CC=C(C=C4)F)OC(=O)NCC5=CC=CC=C5

InChI

InChI=1S/C62H72F2N8O14/c1-83-59(79)51(85-61(81)69-37-45-14-5-3-6-15-45)20-9-11-32-65-53(73)39-71(41-55(75)67-34-30-43-22-26-49(63)27-23-43)57(77)47-18-13-19-48(36-47)58(78)72(42-56(76)68-35-31-44-24-28-50(64)29-25-44)40-54(74)66-33-12-10-21-52(60(80)84-2)86-62(82)70-38-46-16-7-4-8-17-46/h3-8,13-19,22-29,36,51-52H,9-12,20-21,30-35,37-42H2,1-2H3,(H,65,73)(H,66,74)(H,67,75)(H,68,76)(H,69,81)(H,70,82)/t51-,52-/m0/s1