[(1Z,4S,6E)-7-chloro-1-[[(2S)-2-[[(2Z,4Z,6E,8S)-8-[(2S)-5-methoxy-6-oxo-2,3-dihydropyran-2-yl]-6-methylnona-2,4,6-trienoyl]amino]-3,3-dimethylbutanoyl]amino]octa-1,6-dien-4-yl] N-propan-2-ylcarbamate;[(1Z,4R,6E)-7-chloro-1-[[(2S)-2-[[(2Z,4Z,6E,8S)-8-[(2S)-5-methoxy-6-oxo-2,3-dihydropyran-2-yl]-6-methylnona-2,4,6-trienoyl]amino]-3,3-dimethylbutanoyl]amino]octa-1,6-dien-4-yl] N-propan-2-ylcarbamate;(2E,4Z,6E,8S)-N-[(2S)-1-[[(1Z,4R,6E)-7-chloro-4-propan-2-yloxyocta-1,6-dienyl]amino]-3,3-dimethyl-1-oxobutan-2-yl]-8-[(2S)-5-methoxy-6-oxo-2,3-dihydropyran-2-yl]-6-methylnona-2,4,6-trienamide;(2Z,4Z,6E,8S)-N-[(2S)-1-[[(1Z,4R,6E)-7-chloro-4-propan-2-yloxyocta-1,6-dienyl]amino]-3,3-dimethyl-1-oxobutan-2-yl]-6-methyl-8-[(2S)-6-oxo-2,3-dihydropyran-2-yl]nona-2,4,6-trienamide;(2Z,4Z,6E,8S)-N-[(2S)-1-[[(1Z,4R,6E)-7-chloro-4-propan-2-yloxyocta-1,6-dienyl]amino]-3-methyl-1-oxobutan-2-yl]-8-[(2S)-5-methoxy-6-oxo-2,3-dihydropyran-2-yl]-6-methylnona-2,4,6-trienamide;(2Z,4Z,6E,8S)-N-[(2S)-1-[[(1Z,4R,6E)-7-chloro-4-propan-2-yloxyocta-1,6-dienyl]amino]-1-oxo-3-phenylpropan-2-yl]-8-[(2S)-5-methoxy-6-oxo-2,3-dihydropyran-2-yl]-6-methylnona-2,4,6-trienamide

C201H290Cl6N14O37 — CID 165060197

About [(1Z,4S,6E)-7-chloro-1-[[(2S)-2-[[(2Z,4Z,6E,8S)-8-[(2S)-5-methoxy-6-oxo-2,3-dihydropyran-2-yl]-6-methylnona-2,4,6-trienoyl]amino]-3,3-dimethylbutanoyl]amino]octa-1,6-dien-4-yl] N-propan-2-ylcarbamate;[(1Z,4R,6E)-7-chloro-1-[[(2S)-2-[[(2Z,4Z,6E,8S)-8-[(2S)-5-methoxy-6-oxo-2,3-dihydropyran-2-yl]-6-methylnona-2,4,6-trienoyl]amino]-3,3-dimethylbutanoyl]amino]octa-1,6-dien-4-yl] N-propan-2-ylcarbamate;(2E,4Z,6E,8S)-N-[(2S)-1-[[(1Z,4R,6E)-7-chloro-4-propan-2-yloxyocta-1,6-dienyl]amino]-3,3-dimethyl-1-oxobutan-2-yl]-8-[(2S)-5-methoxy-6-oxo-2,3-dihydropyran-2-yl]-6-methylnona-2,4,6-trienamide;(2Z,4Z,6E,8S)-N-[(2S)-1-[[(1Z,4R,6E)-7-chloro-4-propan-2-yloxyocta-1,6-dienyl]amino]-3,3-dimethyl-1-oxobutan-2-yl]-6-methyl-8-[(2S)-6-oxo-2,3-dihydropyran-2-yl]nona-2,4,6-trienamide;(2Z,4Z,6E,8S)-N-[(2S)-1-[[(1Z,4R,6E)-7-chloro-4-propan-2-yloxyocta-1,6-dienyl]amino]-3-methyl-1-oxobutan-2-yl]-8-[(2S)-5-methoxy-6-oxo-2,3-dihydropyran-2-yl]-6-methylnona-2,4,6-trienamide;(2Z,4Z,6E,8S)-N-[(2S)-1-[[(1Z,4R,6E)-7-chloro-4-propan-2-yloxyocta-1,6-dienyl]amino]-1-oxo-3-phenylpropan-2-yl]-8-[(2S)-5-methoxy-6-oxo-2,3-dihydropyran-2-yl]-6-methylnona-2,4,6-trienamide

[(1Z,4S,6E)-7-chloro-1-[[(2S)-2-[[(2Z,4Z,6E,8S)-8-[(2S)-5-methoxy-6-oxo-2,3-dihydropyran-2-yl]-6-methylnona-2,4,6-trienoyl]amino]-3,3-dimethylbutanoyl]amino]octa-1,6-dien-4-yl] N-propan-2-ylcarbamate;[(1Z,4R,6E)-7-chloro-1-[[(2S)-2-[[(2Z,4Z,6E,8S)-8-[(2S)-5-methoxy-6-oxo-2,3-dihydropyran-2-yl]-6-methylnona-2,4,6-trienoyl]amino]-3,3-dimethylbutanoyl]amino]octa-1,6-dien-4-yl] N-propan-2-ylcarbamate;(2E,4Z,6E,8S)-N-[(2S)-1-[[(1Z,4R,6E)-7-chloro-4-propan-2-yloxyocta-1,6-dienyl]amino]-3,3-dimethyl-1-oxobutan-2-yl]-8-[(2S)-5-methoxy-6-oxo-2,3-dihydropyran-2-yl]-6-methylnona-2,4,6-trienamide;(2Z,4Z,6E,8S)-N-[(2S)-1-[[(1Z,4R,6E)-7-chloro-4-propan-2-yloxyocta-1,6-dienyl]amino]-3,3-dimethyl-1-oxobutan-2-yl]-6-methyl-8-[(2S)-6-oxo-2,3-dihydropyran-2-yl]nona-2,4,6-trienamide;(2Z,4Z,6E,8S)-N-[(2S)-1-[[(1Z,4R,6E)-7-chloro-4-propan-2-yloxyocta-1,6-dienyl]amino]-3-methyl-1-oxobutan-2-yl]-8-[(2S)-5-methoxy-6-oxo-2,3-dihydropyran-2-yl]-6-methylnona-2,4,6-trienamide;(2Z,4Z,6E,8S)-N-[(2S)-1-[[(1Z,4R,6E)-7-chloro-4-propan-2-yloxyocta-1,6-dienyl]amino]-1-oxo-3-phenylpropan-2-yl]-8-[(2S)-5-methoxy-6-oxo-2,3-dihydropyran-2-yl]-6-methylnona-2,4,6-trienamide (PubChem CID 165060197) has the molecular formula C201H290Cl6N14O37 and a molecular weight of 3707.31 g/mol. Its IUPAC name is [(1Z,4S,6E)-7-chloro-1-[[(2S)-2-[[(2Z,4Z,6E,8S)-8-[(2S)-5-methoxy-6-oxo-2,3-dihydropyran-2-yl]-6-methylnona-2,4,6-trienoyl]amino]-3,3-dimethylbutanoyl]amino]octa-1,6-dien-4-yl] N-propan-2-ylcarbamate;[(1Z,4R,6E)-7-chloro-1-[[(2S)-2-[[(2Z,4Z,6E,8S)-8-[(2S)-5-methoxy-6-oxo-2,3-dihydropyran-2-yl]-6-methylnona-2,4,6-trienoyl]amino]-3,3-dimethylbutanoyl]amino]octa-1,6-dien-4-yl] N-propan-2-ylcarbamate;(2E,4Z,6E,8S)-N-[(2S)-1-[[(1Z,4R,6E)-7-chloro-4-propan-2-yloxyocta-1,6-dienyl]amino]-3,3-dimethyl-1-oxobutan-2-yl]-8-[(2S)-5-methoxy-6-oxo-2,3-dihydropyran-2-yl]-6-methylnona-2,4,6-trienamide;(2Z,4Z,6E,8S)-N-[(2S)-1-[[(1Z,4R,6E)-7-chloro-4-propan-2-yloxyocta-1,6-dienyl]amino]-3,3-dimethyl-1-oxobutan-2-yl]-6-methyl-8-[(2S)-6-oxo-2,3-dihydropyran-2-yl]nona-2,4,6-trienamide;(2Z,4Z,6E,8S)-N-[(2S)-1-[[(1Z,4R,6E)-7-chloro-4-propan-2-yloxyocta-1,6-dienyl]amino]-3-methyl-1-oxobutan-2-yl]-8-[(2S)-5-methoxy-6-oxo-2,3-dihydropyran-2-yl]-6-methylnona-2,4,6-trienamide;(2Z,4Z,6E,8S)-N-[(2S)-1-[[(1Z,4R,6E)-7-chloro-4-propan-2-yloxyocta-1,6-dienyl]amino]-1-oxo-3-phenylpropan-2-yl]-8-[(2S)-5-methoxy-6-oxo-2,3-dihydropyran-2-yl]-6-methylnona-2,4,6-trienamide.

Molecular Properties

• Compound Name: [(1Z,4S,6E)-7-chloro-1-[[(2S)-2-[[(2Z,4Z,6E,8S)-8-[(2S)-5-methoxy-6-oxo-2,3-dihydropyran-2-yl]-6-methylnona-2,4,6-trienoyl]amino]-3,3-dimethylbutanoyl]amino]octa-1,6-dien-4-yl] N-propan-2-ylcarbamate;[(1Z,4R,6E)-7-chloro-1-[[(2S)-2-[[(2Z,4Z,6E,8S)-8-[(2S)-5-methoxy-6-oxo-2,3-dihydropyran-2-yl]-6-methylnona-2,4,6-trienoyl]amino]-3,3-dimethylbutanoyl]amino]octa-1,6-dien-4-yl] N-propan-2-ylcarbamate;(2E,4Z,6E,8S)-N-[(2S)-1-[[(1Z,4R,6E)-7-chloro-4-propan-2-yloxyocta-1,6-dienyl]amino]-3,3-dimethyl-1-oxobutan-2-yl]-8-[(2S)-5-methoxy-6-oxo-2,3-dihydropyran-2-yl]-6-methylnona-2,4,6-trienamide;(2Z,4Z,6E,8S)-N-[(2S)-1-[[(1Z,4R,6E)-7-chloro-4-propan-2-yloxyocta-1,6-dienyl]amino]-3,3-dimethyl-1-oxobutan-2-yl]-6-methyl-8-[(2S)-6-oxo-2,3-dihydropyran-2-yl]nona-2,4,6-trienamide;(2Z,4Z,6E,8S)-N-[(2S)-1-[[(1Z,4R,6E)-7-chloro-4-propan-2-yloxyocta-1,6-dienyl]amino]-3-methyl-1-oxobutan-2-yl]-8-[(2S)-5-methoxy-6-oxo-2,3-dihydropyran-2-yl]-6-methylnona-2,4,6-trienamide;(2Z,4Z,6E,8S)-N-[(2S)-1-[[(1Z,4R,6E)-7-chloro-4-propan-2-yloxyocta-1,6-dienyl]amino]-1-oxo-3-phenylpropan-2-yl]-8-[(2S)-5-methoxy-6-oxo-2,3-dihydropyran-2-yl]-6-methylnona-2,4,6-trienamide
• PubChem CID: 165060197
• Molecular Formula: C201H290Cl6N14O37
• Molecular Weight: 3707.31 g/mol
• Exact Mass: 3701.94
• IUPAC Name: [(1Z,4S,6E)-7-chloro-1-[[(2S)-2-[[(2Z,4Z,6E,8S)-8-[(2S)-5-methoxy-6-oxo-2,3-dihydropyran-2-yl]-6-methylnona-2,4,6-trienoyl]amino]-3,3-dimethylbutanoyl]amino]octa-1,6-dien-4-yl] N-propan-2-ylcarbamate;[(1Z,4R,6E)-7-chloro-1-[[(2S)-2-[[(2Z,4Z,6E,8S)-8-[(2S)-5-methoxy-6-oxo-2,3-dihydropyran-2-yl]-6-methylnona-2,4,6-trienoyl]amino]-3,3-dimethylbutanoyl]amino]octa-1,6-dien-4-yl] N-propan-2-ylcarbamate;(2E,4Z,6E,8S)-N-[(2S)-1-[[(1Z,4R,6E)-7-chloro-4-propan-2-yloxyocta-1,6-dienyl]amino]-3,3-dimethyl-1-oxobutan-2-yl]-8-[(2S)-5-methoxy-6-oxo-2,3-dihydropyran-2-yl]-6-methylnona-2,4,6-trienamide;(2Z,4Z,6E,8S)-N-[(2S)-1-[[(1Z,4R,6E)-7-chloro-4-propan-2-yloxyocta-1,6-dienyl]amino]-3,3-dimethyl-1-oxobutan-2-yl]-6-methyl-8-[(2S)-6-oxo-2,3-dihydropyran-2-yl]nona-2,4,6-trienamide;(2Z,4Z,6E,8S)-N-[(2S)-1-[[(1Z,4R,6E)-7-chloro-4-propan-2-yloxyocta-1,6-dienyl]amino]-3-methyl-1-oxobutan-2-yl]-8-[(2S)-5-methoxy-6-oxo-2,3-dihydropyran-2-yl]-6-methylnona-2,4,6-trienamide;(2Z,4Z,6E,8S)-N-[(2S)-1-[[(1Z,4R,6E)-7-chloro-4-propan-2-yloxyocta-1,6-dienyl]amino]-1-oxo-3-phenylpropan-2-yl]-8-[(2S)-5-methoxy-6-oxo-2,3-dihydropyran-2-yl]-6-methylnona-2,4,6-trienamide
• SMILES: C/C(Cl)=C\C[C@@H](C/C=C\NC(=O)[C@@H](NC(=O)/C=C\C=C/C(C)=C/[C@H](C)[C@@H]1CC=CC(=O)O1)C(C)(C)C)OC(C)C.COC1=CC[C@@H]([C@@H](C)/C=C(C)/C=C\C=C/C(=O)N[C@@H](Cc2ccccc2)C(=O)N/C=C\C[C@H](C/C=C(\C)Cl)OC(C)C)OC1=O.COC1=CC[C@@H]([C@@H](C)/C=C(C)/C=C\C=C/C(=O)N[C@H](C(=O)N/C=C\C[C@@H](C/C=C(\C)Cl)OC(=O)NC(C)C)C(C)(C)C)OC1=O.COC1=CC[C@@H]([C@@H](C)/C=C(C)/C=C\C=C/C(=O)N[C@H](C(=O)N/C=C\C[C@H](C/C=C(\C)Cl)OC(=O)NC(C)C)C(C)(C)C)OC1=O.COC1=CC[C@@H]([C@@H](C)/C=C(C)/C=C\C=C/C(=O)N[C@H](C(=O)N/C=C\C[C@H](C/C=C(\C)Cl)OC(C)C)C(C)C)OC1=O.COC1=CC[C@@H]([C@@H](C)/C=C(C)/C=C\C=C\C(=O)N[C@H](C(=O)N/C=C\C[C@H](C/C=C(\C)Cl)OC(C)C)C(C)(C)C)OC1=O
• InChI: InChI=1S/C36H47ClN2O6.2C34H50ClN3O7.C33H49ClN2O6.C32H47ClN2O6.C32H47ClN2O5/c1-25(2)44-30(19-18-28(5)37)16-12-22-38-35(41)31(24-29-14-8-7-9-15-29)39-34(40)17-11-10-13-26(3)23-27(4)32-20-21-33(43-6)36(42)45-32;2*1-22(2)37-33(42)44-26(17-16-25(5)35)14-12-20-36-31(40)30(34(6,7)8)38-29(39)15-11-10-13-23(3)21-24(4)27-18-19-28(43-9)32(41)45-27;1-22(2)41-26(17-16-25(5)34)14-12-20-35-31(38)30(33(6,7)8)36-29(37)15-11-10-13-23(3)21-24(4)27-18-19-28(40-9)32(39)42-27;1-21(2)30(31(37)34-19-11-13-26(40-22(3)4)16-15-25(7)33)35-29(36)14-10-9-12-23(5)20-24(6)27-17-18-28(39-8)32(38)41-27;1-22(2)39-26(19-18-25(5)33)14-12-20-34-31(38)30(32(6,7)8)35-28(36)16-10-9-13-23(3)21-24(4)27-15-11-17-29(37)40-27/h7-15,17-18,21-23,25,27,30-32H,16,19-20,24H2,1-6H3,(H,38,41)(H,39,40);2*10-13,15-16,19-22,24,26-27,30H,14,17-18H2,1-9H3,(H,36,40)(H,37,42)(H,38,39);10-13,15-16,19-22,24,26-27,30H,14,17-18H2,1-9H3,(H,35,38)(H,36,37);9-12,14-15,18-22,24,26-27,30H,13,16-17H2,1-8H3,(H,34,37)(H,35,36);9-13,16-18,20-22,24,26-27,30H,14-15,19H2,1-8H3,(H,34,38)(H,35,36)/b13-10-,17-11-,22-12-,26-23+,28-18+;2*13-10-,15-11-,20-12-,23-21+,25-16+;13-10-,15-11+,20-12-,23-21+,25-16+;12-9-,14-10-,19-11-,23-20+,25-15+;13-9-,16-10-,20-12-,23-21+,25-18+/t27-,30+,31-,32-;24-,26+,27-,30+;24-,26-,27-,30+;24-,26+,27-,30+;24-,26+,27-,30-;24-,26+,27-,30+/m000000/s1
• InChIKey: RBOHSWPMVZYLFL-IPUVZNOSSA-N
• XLogP: 37.68
• TPSA: 666.73 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 37
• Rotatable Bonds: 92
• Heavy Atoms: 258
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3707.31
LogP ≤ 5	37.68
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of [(1Z,4S,6E)-7-chloro-1-[[(2S)-2-[[(2Z,4Z,6E,8S)-8-[(2S)-5-methoxy-6-oxo-2,3-dihydropyran-2-yl]-6-methylnona-2,4,6-trienoyl]amino]-3,3-dimethylbutanoyl]amino]octa-1,6-dien-4-yl] N-propan-2-ylcarbamate;[(1Z,4R,6E)-7-chloro-1-[[(2S)-2-[[(2Z,4Z,6E,8S)-8-[(2S)-5-methoxy-6-oxo-2,3-dihydropyran-2-yl]-6-methylnona-2,4,6-trienoyl]amino]-3,3-dimethylbutanoyl]amino]octa-1,6-dien-4-yl] N-propan-2-ylcarbamate;(2E,4Z,6E,8S)-N-[(2S)-1-[[(1Z,4R,6E)-7-chloro-4-propan-2-yloxyocta-1,6-dienyl]amino]-3,3-dimethyl-1-oxobutan-2-yl]-8-[(2S)-5-methoxy-6-oxo-2,3-dihydropyran-2-yl]-6-methylnona-2,4,6-trienamide;(2Z,4Z,6E,8S)-N-[(2S)-1-[[(1Z,4R,6E)-7-chloro-4-propan-2-yloxyocta-1,6-dienyl]amino]-3,3-dimethyl-1-oxobutan-2-yl]-6-methyl-8-[(2S)-6-oxo-2,3-dihydropyran-2-yl]nona-2,4,6-trienamide;(2Z,4Z,6E,8S)-N-[(2S)-1-[[(1Z,4R,6E)-7-chloro-4-propan-2-yloxyocta-1,6-dienyl]amino]-3-methyl-1-oxobutan-2-yl]-8-[(2S)-5-methoxy-6-oxo-2,3-dihydropyran-2-yl]-6-methylnona-2,4,6-trienamide;(2Z,4Z,6E,8S)-N-[(2S)-1-[[(1Z,4R,6E)-7-chloro-4-propan-2-yloxyocta-1,6-dienyl]amino]-1-oxo-3-phenylpropan-2-yl]-8-[(2S)-5-methoxy-6-oxo-2,3-dihydropyran-2-yl]-6-methylnona-2,4,6-trienamide?

The IUPAC name of [(1Z,4S,6E)-7-chloro-1-[[(2S)-2-[[(2Z,4Z,6E,8S)-8-[(2S)-5-methoxy-6-oxo-2,3-dihydropyran-2-yl]-6-methylnona-2,4,6-trienoyl]amino]-3,3-dimethylbutanoyl]amino]octa-1,6-dien-4-yl] N-propan-2-ylcarbamate;[(1Z,4R,6E)-7-chloro-1-[[(2S)-2-[[(2Z,4Z,6E,8S)-8-[(2S)-5-methoxy-6-oxo-2,3-dihydropyran-2-yl]-6-methylnona-2,4,6-trienoyl]amino]-3,3-dimethylbutanoyl]amino]octa-1,6-dien-4-yl] N-propan-2-ylcarbamate;(2E,4Z,6E,8S)-N-[(2S)-1-[[(1Z,4R,6E)-7-chloro-4-propan-2-yloxyocta-1,6-dienyl]amino]-3,3-dimethyl-1-oxobutan-2-yl]-8-[(2S)-5-methoxy-6-oxo-2,3-dihydropyran-2-yl]-6-methylnona-2,4,6-trienamide;(2Z,4Z,6E,8S)-N-[(2S)-1-[[(1Z,4R,6E)-7-chloro-4-propan-2-yloxyocta-1,6-dienyl]amino]-3,3-dimethyl-1-oxobutan-2-yl]-6-methyl-8-[(2S)-6-oxo-2,3-dihydropyran-2-yl]nona-2,4,6-trienamide;(2Z,4Z,6E,8S)-N-[(2S)-1-[[(1Z,4R,6E)-7-chloro-4-propan-2-yloxyocta-1,6-dienyl]amino]-3-methyl-1-oxobutan-2-yl]-8-[(2S)-5-methoxy-6-oxo-2,3-dihydropyran-2-yl]-6-methylnona-2,4,6-trienamide;(2Z,4Z,6E,8S)-N-[(2S)-1-[[(1Z,4R,6E)-7-chloro-4-propan-2-yloxyocta-1,6-dienyl]amino]-1-oxo-3-phenylpropan-2-yl]-8-[(2S)-5-methoxy-6-oxo-2,3-dihydropyran-2-yl]-6-methylnona-2,4,6-trienamide (CID 165060197) is [(1Z,4S,6E)-7-chloro-1-[[(2S)-2-[[(2Z,4Z,6E,8S)-8-[(2S)-5-methoxy-6-oxo-2,3-dihydropyran-2-yl]-6-methylnona-2,4,6-trienoyl]amino]-3,3-dimethylbutanoyl]amino]octa-1,6-dien-4-yl] N-propan-2-ylcarbamate;[(1Z,4R,6E)-7-chloro-1-[[(2S)-2-[[(2Z,4Z,6E,8S)-8-[(2S)-5-methoxy-6-oxo-2,3-dihydropyran-2-yl]-6-methylnona-2,4,6-trienoyl]amino]-3,3-dimethylbutanoyl]amino]octa-1,6-dien-4-yl] N-propan-2-ylcarbamate;(2E,4Z,6E,8S)-N-[(2S)-1-[[(1Z,4R,6E)-7-chloro-4-propan-2-yloxyocta-1,6-dienyl]amino]-3,3-dimethyl-1-oxobutan-2-yl]-8-[(2S)-5-methoxy-6-oxo-2,3-dihydropyran-2-yl]-6-methylnona-2,4,6-trienamide;(2Z,4Z,6E,8S)-N-[(2S)-1-[[(1Z,4R,6E)-7-chloro-4-propan-2-yloxyocta-1,6-dienyl]amino]-3,3-dimethyl-1-oxobutan-2-yl]-6-methyl-8-[(2S)-6-oxo-2,3-dihydropyran-2-yl]nona-2,4,6-trienamide;(2Z,4Z,6E,8S)-N-[(2S)-1-[[(1Z,4R,6E)-7-chloro-4-propan-2-yloxyocta-1,6-dienyl]amino]-3-methyl-1-oxobutan-2-yl]-8-[(2S)-5-methoxy-6-oxo-2,3-dihydropyran-2-yl]-6-methylnona-2,4,6-trienamide;(2Z,4Z,6E,8S)-N-[(2S)-1-[[(1Z,4R,6E)-7-chloro-4-propan-2-yloxyocta-1,6-dienyl]amino]-1-oxo-3-phenylpropan-2-yl]-8-[(2S)-5-methoxy-6-oxo-2,3-dihydropyran-2-yl]-6-methylnona-2,4,6-trienamide.

What is the SMILES notation for [(1Z,4S,6E)-7-chloro-1-[[(2S)-2-[[(2Z,4Z,6E,8S)-8-[(2S)-5-methoxy-6-oxo-2,3-dihydropyran-2-yl]-6-methylnona-2,4,6-trienoyl]amino]-3,3-dimethylbutanoyl]amino]octa-1,6-dien-4-yl] N-propan-2-ylcarbamate;[(1Z,4R,6E)-7-chloro-1-[[(2S)-2-[[(2Z,4Z,6E,8S)-8-[(2S)-5-methoxy-6-oxo-2,3-dihydropyran-2-yl]-6-methylnona-2,4,6-trienoyl]amino]-3,3-dimethylbutanoyl]amino]octa-1,6-dien-4-yl] N-propan-2-ylcarbamate;(2E,4Z,6E,8S)-N-[(2S)-1-[[(1Z,4R,6E)-7-chloro-4-propan-2-yloxyocta-1,6-dienyl]amino]-3,3-dimethyl-1-oxobutan-2-yl]-8-[(2S)-5-methoxy-6-oxo-2,3-dihydropyran-2-yl]-6-methylnona-2,4,6-trienamide;(2Z,4Z,6E,8S)-N-[(2S)-1-[[(1Z,4R,6E)-7-chloro-4-propan-2-yloxyocta-1,6-dienyl]amino]-3,3-dimethyl-1-oxobutan-2-yl]-6-methyl-8-[(2S)-6-oxo-2,3-dihydropyran-2-yl]nona-2,4,6-trienamide;(2Z,4Z,6E,8S)-N-[(2S)-1-[[(1Z,4R,6E)-7-chloro-4-propan-2-yloxyocta-1,6-dienyl]amino]-3-methyl-1-oxobutan-2-yl]-8-[(2S)-5-methoxy-6-oxo-2,3-dihydropyran-2-yl]-6-methylnona-2,4,6-trienamide;(2Z,4Z,6E,8S)-N-[(2S)-1-[[(1Z,4R,6E)-7-chloro-4-propan-2-yloxyocta-1,6-dienyl]amino]-1-oxo-3-phenylpropan-2-yl]-8-[(2S)-5-methoxy-6-oxo-2,3-dihydropyran-2-yl]-6-methylnona-2,4,6-trienamide?

The canonical SMILES for [(1Z,4S,6E)-7-chloro-1-[[(2S)-2-[[(2Z,4Z,6E,8S)-8-[(2S)-5-methoxy-6-oxo-2,3-dihydropyran-2-yl]-6-methylnona-2,4,6-trienoyl]amino]-3,3-dimethylbutanoyl]amino]octa-1,6-dien-4-yl] N-propan-2-ylcarbamate;[(1Z,4R,6E)-7-chloro-1-[[(2S)-2-[[(2Z,4Z,6E,8S)-8-[(2S)-5-methoxy-6-oxo-2,3-dihydropyran-2-yl]-6-methylnona-2,4,6-trienoyl]amino]-3,3-dimethylbutanoyl]amino]octa-1,6-dien-4-yl] N-propan-2-ylcarbamate;(2E,4Z,6E,8S)-N-[(2S)-1-[[(1Z,4R,6E)-7-chloro-4-propan-2-yloxyocta-1,6-dienyl]amino]-3,3-dimethyl-1-oxobutan-2-yl]-8-[(2S)-5-methoxy-6-oxo-2,3-dihydropyran-2-yl]-6-methylnona-2,4,6-trienamide;(2Z,4Z,6E,8S)-N-[(2S)-1-[[(1Z,4R,6E)-7-chloro-4-propan-2-yloxyocta-1,6-dienyl]amino]-3,3-dimethyl-1-oxobutan-2-yl]-6-methyl-8-[(2S)-6-oxo-2,3-dihydropyran-2-yl]nona-2,4,6-trienamide;(2Z,4Z,6E,8S)-N-[(2S)-1-[[(1Z,4R,6E)-7-chloro-4-propan-2-yloxyocta-1,6-dienyl]amino]-3-methyl-1-oxobutan-2-yl]-8-[(2S)-5-methoxy-6-oxo-2,3-dihydropyran-2-yl]-6-methylnona-2,4,6-trienamide;(2Z,4Z,6E,8S)-N-[(2S)-1-[[(1Z,4R,6E)-7-chloro-4-propan-2-yloxyocta-1,6-dienyl]amino]-1-oxo-3-phenylpropan-2-yl]-8-[(2S)-5-methoxy-6-oxo-2,3-dihydropyran-2-yl]-6-methylnona-2,4,6-trienamide is C/C(Cl)=C\C[C@@H](C/C=C\NC(=O)[C@@H](NC(=O)/C=C\C=C/C(C)=C/[C@H](C)[C@@H]1CC=CC(=O)O1)C(C)(C)C)OC(C)C.COC1=CC[C@@H]([C@@H](C)/C=C(C)/C=C\C=C/C(=O)N[C@@H](Cc2ccccc2)C(=O)N/C=C\C[C@H](C/C=C(\C)Cl)OC(C)C)OC1=O.COC1=CC[C@@H]([C@@H](C)/C=C(C)/C=C\C=C/C(=O)N[C@H](C(=O)N/C=C\C[C@@H](C/C=C(\C)Cl)OC(=O)NC(C)C)C(C)(C)C)OC1=O.COC1=CC[C@@H]([C@@H](C)/C=C(C)/C=C\C=C/C(=O)N[C@H](C(=O)N/C=C\C[C@H](C/C=C(\C)Cl)OC(=O)NC(C)C)C(C)(C)C)OC1=O.COC1=CC[C@@H]([C@@H](C)/C=C(C)/C=C\C=C/C(=O)N[C@H](C(=O)N/C=C\C[C@H](C/C=C(\C)Cl)OC(C)C)C(C)C)OC1=O.COC1=CC[C@@H]([C@@H](C)/C=C(C)/C=C\C=C\C(=O)N[C@H](C(=O)N/C=C\C[C@H](C/C=C(\C)Cl)OC(C)C)C(C)(C)C)OC1=O.

What is the InChIKey of [(1Z,4S,6E)-7-chloro-1-[[(2S)-2-[[(2Z,4Z,6E,8S)-8-[(2S)-5-methoxy-6-oxo-2,3-dihydropyran-2-yl]-6-methylnona-2,4,6-trienoyl]amino]-3,3-dimethylbutanoyl]amino]octa-1,6-dien-4-yl] N-propan-2-ylcarbamate;[(1Z,4R,6E)-7-chloro-1-[[(2S)-2-[[(2Z,4Z,6E,8S)-8-[(2S)-5-methoxy-6-oxo-2,3-dihydropyran-2-yl]-6-methylnona-2,4,6-trienoyl]amino]-3,3-dimethylbutanoyl]amino]octa-1,6-dien-4-yl] N-propan-2-ylcarbamate;(2E,4Z,6E,8S)-N-[(2S)-1-[[(1Z,4R,6E)-7-chloro-4-propan-2-yloxyocta-1,6-dienyl]amino]-3,3-dimethyl-1-oxobutan-2-yl]-8-[(2S)-5-methoxy-6-oxo-2,3-dihydropyran-2-yl]-6-methylnona-2,4,6-trienamide;(2Z,4Z,6E,8S)-N-[(2S)-1-[[(1Z,4R,6E)-7-chloro-4-propan-2-yloxyocta-1,6-dienyl]amino]-3,3-dimethyl-1-oxobutan-2-yl]-6-methyl-8-[(2S)-6-oxo-2,3-dihydropyran-2-yl]nona-2,4,6-trienamide;(2Z,4Z,6E,8S)-N-[(2S)-1-[[(1Z,4R,6E)-7-chloro-4-propan-2-yloxyocta-1,6-dienyl]amino]-3-methyl-1-oxobutan-2-yl]-8-[(2S)-5-methoxy-6-oxo-2,3-dihydropyran-2-yl]-6-methylnona-2,4,6-trienamide;(2Z,4Z,6E,8S)-N-[(2S)-1-[[(1Z,4R,6E)-7-chloro-4-propan-2-yloxyocta-1,6-dienyl]amino]-1-oxo-3-phenylpropan-2-yl]-8-[(2S)-5-methoxy-6-oxo-2,3-dihydropyran-2-yl]-6-methylnona-2,4,6-trienamide?

The InChIKey is RBOHSWPMVZYLFL-IPUVZNOSSA-N. The full InChI is InChI=1S/C36H47ClN2O6.2C34H50ClN3O7.C33H49ClN2O6.C32H47ClN2O6.C32H47ClN2O5/c1-25(2)44-30(19-18-28(5)37)16-12-22-38-35(41)31(24-29-14-8-7-9-15-29)39-34(40)17-11-10-13-26(3)23-27(4)32-20-21-33(43-6)36(42)45-32;2*1-22(2)37-33(42)44-26(17-16-25(5)35)14-12-20-36-31(40)30(34(6,7)8)38-29(39)15-11-10-13-23(3)21-24(4)27-18-19-28(43-9)32(41)45-27;1-22(2)41-26(17-16-25(5)34)14-12-20-35-31(38)30(33(6,7)8)36-29(37)15-11-10-13-23(3)21-24(4)27-18-19-28(40-9)32(39)42-27;1-21(2)30(31(37)34-19-11-13-26(40-22(3)4)16-15-25(7)33)35-29(36)14-10-9-12-23(5)20-24(6)27-17-18-28(39-8)32(38)41-27;1-22(2)39-26(19-18-25(5)33)14-12-20-34-31(38)30(32(6,7)8)35-28(36)16-10-9-13-23(3)21-24(4)27-15-11-17-29(37)40-27/h7-15,17-18,21-23,25,27,30-32H,16,19-20,24H2,1-6H3,(H,38,41)(H,39,40);2*10-13,15-16,19-22,24,26-27,30H,14,17-18H2,1-9H3,(H,36,40)(H,37,42)(H,38,39);10-13,15-16,19-22,24,26-27,30H,14,17-18H2,1-9H3,(H,35,38)(H,36,37);9-12,14-15,18-22,24,26-27,30H,13,16-17H2,1-8H3,(H,34,37)(H,35,36);9-13,16-18,20-22,24,26-27,30H,14-15,19H2,1-8H3,(H,34,38)(H,35,36)/b13-10-,17-11-,22-12-,26-23+,28-18+;2*13-10-,15-11-,20-12-,23-21+,25-16+;13-10-,15-11+,20-12-,23-21+,25-16+;12-9-,14-10-,19-11-,23-20+,25-15+;13-9-,16-10-,20-12-,23-21+,25-18+/t27-,30+,31-,32-;24-,26+,27-,30+;24-,26-,27-,30+;24-,26+,27-,30+;24-,26+,27-,30-;24-,26+,27-,30+/m000000/s1.

What are the key properties of [(1Z,4S,6E)-7-chloro-1-[[(2S)-2-[[(2Z,4Z,6E,8S)-8-[(2S)-5-methoxy-6-oxo-2,3-dihydropyran-2-yl]-6-methylnona-2,4,6-trienoyl]amino]-3,3-dimethylbutanoyl]amino]octa-1,6-dien-4-yl] N-propan-2-ylcarbamate;[(1Z,4R,6E)-7-chloro-1-[[(2S)-2-[[(2Z,4Z,6E,8S)-8-[(2S)-5-methoxy-6-oxo-2,3-dihydropyran-2-yl]-6-methylnona-2,4,6-trienoyl]amino]-3,3-dimethylbutanoyl]amino]octa-1,6-dien-4-yl] N-propan-2-ylcarbamate;(2E,4Z,6E,8S)-N-[(2S)-1-[[(1Z,4R,6E)-7-chloro-4-propan-2-yloxyocta-1,6-dienyl]amino]-3,3-dimethyl-1-oxobutan-2-yl]-8-[(2S)-5-methoxy-6-oxo-2,3-dihydropyran-2-yl]-6-methylnona-2,4,6-trienamide;(2Z,4Z,6E,8S)-N-[(2S)-1-[[(1Z,4R,6E)-7-chloro-4-propan-2-yloxyocta-1,6-dienyl]amino]-3,3-dimethyl-1-oxobutan-2-yl]-6-methyl-8-[(2S)-6-oxo-2,3-dihydropyran-2-yl]nona-2,4,6-trienamide;(2Z,4Z,6E,8S)-N-[(2S)-1-[[(1Z,4R,6E)-7-chloro-4-propan-2-yloxyocta-1,6-dienyl]amino]-3-methyl-1-oxobutan-2-yl]-8-[(2S)-5-methoxy-6-oxo-2,3-dihydropyran-2-yl]-6-methylnona-2,4,6-trienamide;(2Z,4Z,6E,8S)-N-[(2S)-1-[[(1Z,4R,6E)-7-chloro-4-propan-2-yloxyocta-1,6-dienyl]amino]-1-oxo-3-phenylpropan-2-yl]-8-[(2S)-5-methoxy-6-oxo-2,3-dihydropyran-2-yl]-6-methylnona-2,4,6-trienamide?

[(1Z,4S,6E)-7-chloro-1-[[(2S)-2-[[(2Z,4Z,6E,8S)-8-[(2S)-5-methoxy-6-oxo-2,3-dihydropyran-2-yl]-6-methylnona-2,4,6-trienoyl]amino]-3,3-dimethylbutanoyl]amino]octa-1,6-dien-4-yl] N-propan-2-ylcarbamate;[(1Z,4R,6E)-7-chloro-1-[[(2S)-2-[[(2Z,4Z,6E,8S)-8-[(2S)-5-methoxy-6-oxo-2,3-dihydropyran-2-yl]-6-methylnona-2,4,6-trienoyl]amino]-3,3-dimethylbutanoyl]amino]octa-1,6-dien-4-yl] N-propan-2-ylcarbamate;(2E,4Z,6E,8S)-N-[(2S)-1-[[(1Z,4R,6E)-7-chloro-4-propan-2-yloxyocta-1,6-dienyl]amino]-3,3-dimethyl-1-oxobutan-2-yl]-8-[(2S)-5-methoxy-6-oxo-2,3-dihydropyran-2-yl]-6-methylnona-2,4,6-trienamide;(2Z,4Z,6E,8S)-N-[(2S)-1-[[(1Z,4R,6E)-7-chloro-4-propan-2-yloxyocta-1,6-dienyl]amino]-3,3-dimethyl-1-oxobutan-2-yl]-6-methyl-8-[(2S)-6-oxo-2,3-dihydropyran-2-yl]nona-2,4,6-trienamide;(2Z,4Z,6E,8S)-N-[(2S)-1-[[(1Z,4R,6E)-7-chloro-4-propan-2-yloxyocta-1,6-dienyl]amino]-3-methyl-1-oxobutan-2-yl]-8-[(2S)-5-methoxy-6-oxo-2,3-dihydropyran-2-yl]-6-methylnona-2,4,6-trienamide;(2Z,4Z,6E,8S)-N-[(2S)-1-[[(1Z,4R,6E)-7-chloro-4-propan-2-yloxyocta-1,6-dienyl]amino]-1-oxo-3-phenylpropan-2-yl]-8-[(2S)-5-methoxy-6-oxo-2,3-dihydropyran-2-yl]-6-methylnona-2,4,6-trienamide has a molecular weight of 3707.31 g/mol, XLogP of 37.68, 92 rotatable bonds, 14 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for [(1Z,4S,6E)-7-chloro-1-[[(2S)-2-[[(2Z,4Z,6E,8S)-8-[(2S)-5-methoxy-6-oxo-2,3-dihydropyran-2-yl]-6-methylnona-2,4,6-trienoyl]amino]-3,3-dimethylbutanoyl]amino]octa-1,6-dien-4-yl] N-propan-2-ylcarbamate;[(1Z,4R,6E)-7-chloro-1-[[(2S)-2-[[(2Z,4Z,6E,8S)-8-[(2S)-5-methoxy-6-oxo-2,3-dihydropyran-2-yl]-6-methylnona-2,4,6-trienoyl]amino]-3,3-dimethylbutanoyl]amino]octa-1,6-dien-4-yl] N-propan-2-ylcarbamate;(2E,4Z,6E,8S)-N-[(2S)-1-[[(1Z,4R,6E)-7-chloro-4-propan-2-yloxyocta-1,6-dienyl]amino]-3,3-dimethyl-1-oxobutan-2-yl]-8-[(2S)-5-methoxy-6-oxo-2,3-dihydropyran-2-yl]-6-methylnona-2,4,6-trienamide;(2Z,4Z,6E,8S)-N-[(2S)-1-[[(1Z,4R,6E)-7-chloro-4-propan-2-yloxyocta-1,6-dienyl]amino]-3,3-dimethyl-1-oxobutan-2-yl]-6-methyl-8-[(2S)-6-oxo-2,3-dihydropyran-2-yl]nona-2,4,6-trienamide;(2Z,4Z,6E,8S)-N-[(2S)-1-[[(1Z,4R,6E)-7-chloro-4-propan-2-yloxyocta-1,6-dienyl]amino]-3-methyl-1-oxobutan-2-yl]-8-[(2S)-5-methoxy-6-oxo-2,3-dihydropyran-2-yl]-6-methylnona-2,4,6-trienamide;(2Z,4Z,6E,8S)-N-[(2S)-1-[[(1Z,4R,6E)-7-chloro-4-propan-2-yloxyocta-1,6-dienyl]amino]-1-oxo-3-phenylpropan-2-yl]-8-[(2S)-5-methoxy-6-oxo-2,3-dihydropyran-2-yl]-6-methylnona-2,4,6-trienamide is sourced from PubChem (CID 165060197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).