(2Z,4Z,6E)-N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-6-methyl-8-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)nona-2,4,6-trienamide;[(1Z,6E)-7-chloro-1-[[3,3-dimethyl-2-[[(2Z,4Z,6E)-6-methyl-8-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)nona-2,4,6-trienoyl]amino]butanoyl]amino]octa-1,6-dien-4-yl] carbamate;[(1Z,6E)-7-chloro-1-[[3,3-dimethyl-2-[[(2Z,4E,6E)-6-methyl-8-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)nona-2,4,6-trienoyl]amino]butanoyl]amino]octa-1,6-dien-4-yl] carbamate;[(1Z,6E)-7-chloro-1-[[3,3-dimethyl-2-[[(2E,4Z,6E)-6-methyl-8-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)nona-2,4,6-trienoyl]amino]butanoyl]amino]octa-1,6-dien-4-yl] carbamate;[(1Z,6E)-7-chloro-1-[[3,3-dimethyl-2-[[(2E,4E,6E)-6-methyl-8-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)nona-2,4,6-trienoyl]amino]butanoyl]amino]octa-1,6-dien-4-yl] carbamate;[(1Z,6E)-7-chloro-1-[[3-methyl-2-[[(2Z,4Z,6E)-6-methyl-8-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)nona-2,4,6-trienoyl]amino]butanoyl]amino]octa-1,6-dien-4-yl] carbamate;[(1Z,6E)-7-chloro-1-[[3-methyl-2-[[(2Z,4E,6E)-6-methyl-8-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)nona-2,4,6-trienoyl]amino]butanoyl]amino]octa-1,6-dien-4-yl] carbamate;[(1Z,6Z)-1-[[3,3-dimethyl-2-[[(2Z,4Z,6E)-6-methyl-8-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)nona-2,4,6-trienoyl]amino]butanoyl]amino]octa-1,6-dien-4-yl] carbamate

C237H337Cl6N23O46 — CID 159453931

About (2Z,4Z,6E)-N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-6-methyl-8-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)nona-2,4,6-trienamide;[(1Z,6E)-7-chloro-1-[[3,3-dimethyl-2-[[(2Z,4Z,6E)-6-methyl-8-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)nona-2,4,6-trienoyl]amino]butanoyl]amino]octa-1,6-dien-4-yl] carbamate;[(1Z,6E)-7-chloro-1-[[3,3-dimethyl-2-[[(2Z,4E,6E)-6-methyl-8-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)nona-2,4,6-trienoyl]amino]butanoyl]amino]octa-1,6-dien-4-yl] carbamate;[(1Z,6E)-7-chloro-1-[[3,3-dimethyl-2-[[(2E,4Z,6E)-6-methyl-8-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)nona-2,4,6-trienoyl]amino]butanoyl]amino]octa-1,6-dien-4-yl] carbamate;[(1Z,6E)-7-chloro-1-[[3,3-dimethyl-2-[[(2E,4E,6E)-6-methyl-8-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)nona-2,4,6-trienoyl]amino]butanoyl]amino]octa-1,6-dien-4-yl] carbamate;[(1Z,6E)-7-chloro-1-[[3-methyl-2-[[(2Z,4Z,6E)-6-methyl-8-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)nona-2,4,6-trienoyl]amino]butanoyl]amino]octa-1,6-dien-4-yl] carbamate;[(1Z,6E)-7-chloro-1-[[3-methyl-2-[[(2Z,4E,6E)-6-methyl-8-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)nona-2,4,6-trienoyl]amino]butanoyl]amino]octa-1,6-dien-4-yl] carbamate;[(1Z,6Z)-1-[[3,3-dimethyl-2-[[(2Z,4Z,6E)-6-methyl-8-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)nona-2,4,6-trienoyl]amino]butanoyl]amino]octa-1,6-dien-4-yl] carbamate

(2Z,4Z,6E)-N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-6-methyl-8-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)nona-2,4,6-trienamide;[(1Z,6E)-7-chloro-1-[[3,3-dimethyl-2-[[(2Z,4Z,6E)-6-methyl-8-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)nona-2,4,6-trienoyl]amino]butanoyl]amino]octa-1,6-dien-4-yl] carbamate;[(1Z,6E)-7-chloro-1-[[3,3-dimethyl-2-[[(2Z,4E,6E)-6-methyl-8-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)nona-2,4,6-trienoyl]amino]butanoyl]amino]octa-1,6-dien-4-yl] carbamate;[(1Z,6E)-7-chloro-1-[[3,3-dimethyl-2-[[(2E,4Z,6E)-6-methyl-8-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)nona-2,4,6-trienoyl]amino]butanoyl]amino]octa-1,6-dien-4-yl] carbamate;[(1Z,6E)-7-chloro-1-[[3,3-dimethyl-2-[[(2E,4E,6E)-6-methyl-8-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)nona-2,4,6-trienoyl]amino]butanoyl]amino]octa-1,6-dien-4-yl] carbamate;[(1Z,6E)-7-chloro-1-[[3-methyl-2-[[(2Z,4Z,6E)-6-methyl-8-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)nona-2,4,6-trienoyl]amino]butanoyl]amino]octa-1,6-dien-4-yl] carbamate;[(1Z,6E)-7-chloro-1-[[3-methyl-2-[[(2Z,4E,6E)-6-methyl-8-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)nona-2,4,6-trienoyl]amino]butanoyl]amino]octa-1,6-dien-4-yl] carbamate;[(1Z,6Z)-1-[[3,3-dimethyl-2-[[(2Z,4Z,6E)-6-methyl-8-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)nona-2,4,6-trienoyl]amino]butanoyl]amino]octa-1,6-dien-4-yl] carbamate (PubChem CID 159453931) has the molecular formula C237H337Cl6N23O46 and a molecular weight of 4457.14 g/mol. Its IUPAC name is (2Z,4Z,6E)-N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-6-methyl-8-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)nona-2,4,6-trienamide;[(1Z,6E)-7-chloro-1-[[3,3-dimethyl-2-[[(2Z,4Z,6E)-6-methyl-8-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)nona-2,4,6-trienoyl]amino]butanoyl]amino]octa-1,6-dien-4-yl] carbamate;[(1Z,6E)-7-chloro-1-[[3,3-dimethyl-2-[[(2Z,4E,6E)-6-methyl-8-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)nona-2,4,6-trienoyl]amino]butanoyl]amino]octa-1,6-dien-4-yl] carbamate;[(1Z,6E)-7-chloro-1-[[3,3-dimethyl-2-[[(2E,4Z,6E)-6-methyl-8-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)nona-2,4,6-trienoyl]amino]butanoyl]amino]octa-1,6-dien-4-yl] carbamate;[(1Z,6E)-7-chloro-1-[[3,3-dimethyl-2-[[(2E,4E,6E)-6-methyl-8-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)nona-2,4,6-trienoyl]amino]butanoyl]amino]octa-1,6-dien-4-yl] carbamate;[(1Z,6E)-7-chloro-1-[[3-methyl-2-[[(2Z,4Z,6E)-6-methyl-8-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)nona-2,4,6-trienoyl]amino]butanoyl]amino]octa-1,6-dien-4-yl] carbamate;[(1Z,6E)-7-chloro-1-[[3-methyl-2-[[(2Z,4E,6E)-6-methyl-8-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)nona-2,4,6-trienoyl]amino]butanoyl]amino]octa-1,6-dien-4-yl] carbamate;[(1Z,6Z)-1-[[3,3-dimethyl-2-[[(2Z,4Z,6E)-6-methyl-8-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)nona-2,4,6-trienoyl]amino]butanoyl]amino]octa-1,6-dien-4-yl] carbamate.

Molecular Properties

• Compound Name: (2Z,4Z,6E)-N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-6-methyl-8-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)nona-2,4,6-trienamide;[(1Z,6E)-7-chloro-1-[[3,3-dimethyl-2-[[(2Z,4Z,6E)-6-methyl-8-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)nona-2,4,6-trienoyl]amino]butanoyl]amino]octa-1,6-dien-4-yl] carbamate;[(1Z,6E)-7-chloro-1-[[3,3-dimethyl-2-[[(2Z,4E,6E)-6-methyl-8-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)nona-2,4,6-trienoyl]amino]butanoyl]amino]octa-1,6-dien-4-yl] carbamate;[(1Z,6E)-7-chloro-1-[[3,3-dimethyl-2-[[(2E,4Z,6E)-6-methyl-8-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)nona-2,4,6-trienoyl]amino]butanoyl]amino]octa-1,6-dien-4-yl] carbamate;[(1Z,6E)-7-chloro-1-[[3,3-dimethyl-2-[[(2E,4E,6E)-6-methyl-8-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)nona-2,4,6-trienoyl]amino]butanoyl]amino]octa-1,6-dien-4-yl] carbamate;[(1Z,6E)-7-chloro-1-[[3-methyl-2-[[(2Z,4Z,6E)-6-methyl-8-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)nona-2,4,6-trienoyl]amino]butanoyl]amino]octa-1,6-dien-4-yl] carbamate;[(1Z,6E)-7-chloro-1-[[3-methyl-2-[[(2Z,4E,6E)-6-methyl-8-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)nona-2,4,6-trienoyl]amino]butanoyl]amino]octa-1,6-dien-4-yl] carbamate;[(1Z,6Z)-1-[[3,3-dimethyl-2-[[(2Z,4Z,6E)-6-methyl-8-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)nona-2,4,6-trienoyl]amino]butanoyl]amino]octa-1,6-dien-4-yl] carbamate
• PubChem CID: 159453931
• Molecular Formula: C237H337Cl6N23O46
• Molecular Weight: 4457.14 g/mol
• Exact Mass: 4451.29
• IUPAC Name: (2Z,4Z,6E)-N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-6-methyl-8-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)nona-2,4,6-trienamide;[(1Z,6E)-7-chloro-1-[[3,3-dimethyl-2-[[(2Z,4Z,6E)-6-methyl-8-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)nona-2,4,6-trienoyl]amino]butanoyl]amino]octa-1,6-dien-4-yl] carbamate;[(1Z,6E)-7-chloro-1-[[3,3-dimethyl-2-[[(2Z,4E,6E)-6-methyl-8-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)nona-2,4,6-trienoyl]amino]butanoyl]amino]octa-1,6-dien-4-yl] carbamate;[(1Z,6E)-7-chloro-1-[[3,3-dimethyl-2-[[(2E,4Z,6E)-6-methyl-8-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)nona-2,4,6-trienoyl]amino]butanoyl]amino]octa-1,6-dien-4-yl] carbamate;[(1Z,6E)-7-chloro-1-[[3,3-dimethyl-2-[[(2E,4E,6E)-6-methyl-8-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)nona-2,4,6-trienoyl]amino]butanoyl]amino]octa-1,6-dien-4-yl] carbamate;[(1Z,6E)-7-chloro-1-[[3-methyl-2-[[(2Z,4Z,6E)-6-methyl-8-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)nona-2,4,6-trienoyl]amino]butanoyl]amino]octa-1,6-dien-4-yl] carbamate;[(1Z,6E)-7-chloro-1-[[3-methyl-2-[[(2Z,4E,6E)-6-methyl-8-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)nona-2,4,6-trienoyl]amino]butanoyl]amino]octa-1,6-dien-4-yl] carbamate;[(1Z,6Z)-1-[[3,3-dimethyl-2-[[(2Z,4Z,6E)-6-methyl-8-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)nona-2,4,6-trienoyl]amino]butanoyl]amino]octa-1,6-dien-4-yl] carbamate
• SMILES: C/C=C\CC(C/C=C\NC(=O)C(NC(=O)/C=C\C=C/C(C)=C/C(C)C1CC=C(C)C(=O)O1)C(C)(C)C)OC(N)=O.CC1=CCC(C(C)/C=C(C)/C=C/C=C/C(=O)NC(C(=O)N/C=C\CC(C/C=C(\C)Cl)OC(N)=O)C(C)(C)C)OC1=O.CC1=CCC(C(C)/C=C(C)/C=C/C=C\C(=O)NC(C(=O)N/C=C\CC(C/C=C(\C)Cl)OC(N)=O)C(C)(C)C)OC1=O.CC1=CCC(C(C)/C=C(C)/C=C/C=C\C(=O)NC(C(=O)N/C=C\CC(C/C=C(\C)Cl)OC(N)=O)C(C)C)OC1=O.CC1=CCC(C(C)/C=C(C)/C=C\C=C/C(=O)NC(C(=O)N/C=C\CC(C/C=C(\C)Cl)OC(N)=O)C(C)(C)C)OC1=O.CC1=CCC(C(C)/C=C(C)/C=C\C=C/C(=O)NC(C(=O)N/C=C\CC(C/C=C(\C)Cl)OC(N)=O)C(C)C)OC1=O.CC1=CCC(C(C)/C=C(C)/C=C\C=C/C(=O)NC(C(N)=O)C(C)(C)C)OC1=O.CC1=CCC(C(C)/C=C(C)/C=C\C=C\C(=O)NC(C(=O)N/C=C\CC(C/C=C(\C)Cl)OC(N)=O)C(C)(C)C)OC1=O
• InChI: InChI=1S/4C31H44ClN3O6.C31H45N3O6.2C30H42ClN3O6.C22H32N2O4/c4*1-20(19-22(3)25-17-14-21(2)29(38)41-25)11-8-9-13-26(36)35-27(31(5,6)7)28(37)34-18-10-12-24(40-30(33)39)16-15-23(4)32;1-8-9-14-24(39-30(32)38)15-12-19-33-28(36)27(31(5,6)7)34-26(35)16-11-10-13-21(2)20-23(4)25-18-17-22(3)29(37)40-25;2*1-19(2)27(28(36)33-17-9-11-24(39-30(32)38)15-14-23(6)31)34-26(35)12-8-7-10-20(3)18-22(5)25-16-13-21(4)29(37)40-25;1-14(13-16(3)17-12-11-15(2)21(27)28-17)9-7-8-10-18(25)24-19(20(23)26)22(4,5)6/h4*8-11,13-15,18-19,22,24-25,27H,12,16-17H2,1-7H3,(H2,33,39)(H,34,37)(H,35,36);8-13,16-17,19-20,23-25,27H,14-15,18H2,1-7H3,(H2,32,38)(H,33,36)(H,34,35);2*7-10,12-14,17-19,22,24-25,27H,11,15-16H2,1-6H3,(H2,32,38)(H,33,36)(H,34,35);7-11,13,16-17,19H,12H2,1-6H3,(H2,23,26)(H,24,25)/b11-8+,13-9+,18-10-,20-19+,23-15+;11-8+,13-9-,18-10-,20-19+,23-15+;11-8-,13-9+,18-10-,20-19+,23-15+;11-8-,13-9-,18-10-,20-19+,23-15+;9-8-,13-10-,16-11-,19-12-,21-20+;10-7+,12-8-,17-9-,20-18+,23-14+;10-7-,12-8-,17-9-,20-18+,23-14+;9-7-,10-8-,14-13+
• InChIKey: LTSMYYWLAFFIBN-FVBIQITISA-N
• XLogP: 40.05
• TPSA: 1056.23 Ų
• H-Bond Donors: 23
• H-Bond Acceptors: 46
• Rotatable Bonds: 100
• Heavy Atoms: 312
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4457.14
LogP ≤ 5	40.05
H-Bond Donors ≤ 5	23
H-Bond Acceptors ≤ 10	46

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z,6E)-N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-6-methyl-8-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)nona-2,4,6-trienamide;[(1Z,6E)-7-chloro-1-[[3,3-dimethyl-2-[[(2Z,4Z,6E)-6-methyl-8-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)nona-2,4,6-trienoyl]amino]butanoyl]amino]octa-1,6-dien-4-yl] carbamate;[(1Z,6E)-7-chloro-1-[[3,3-dimethyl-2-[[(2Z,4E,6E)-6-methyl-8-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)nona-2,4,6-trienoyl]amino]butanoyl]amino]octa-1,6-dien-4-yl] carbamate;[(1Z,6E)-7-chloro-1-[[3,3-dimethyl-2-[[(2E,4Z,6E)-6-methyl-8-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)nona-2,4,6-trienoyl]amino]butanoyl]amino]octa-1,6-dien-4-yl] carbamate;[(1Z,6E)-7-chloro-1-[[3,3-dimethyl-2-[[(2E,4E,6E)-6-methyl-8-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)nona-2,4,6-trienoyl]amino]butanoyl]amino]octa-1,6-dien-4-yl] carbamate;[(1Z,6E)-7-chloro-1-[[3-methyl-2-[[(2Z,4Z,6E)-6-methyl-8-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)nona-2,4,6-trienoyl]amino]butanoyl]amino]octa-1,6-dien-4-yl] carbamate;[(1Z,6E)-7-chloro-1-[[3-methyl-2-[[(2Z,4E,6E)-6-methyl-8-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)nona-2,4,6-trienoyl]amino]butanoyl]amino]octa-1,6-dien-4-yl] carbamate;[(1Z,6Z)-1-[[3,3-dimethyl-2-[[(2Z,4Z,6E)-6-methyl-8-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)nona-2,4,6-trienoyl]amino]butanoyl]amino]octa-1,6-dien-4-yl] carbamate?

The IUPAC name of (2Z,4Z,6E)-N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-6-methyl-8-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)nona-2,4,6-trienamide;[(1Z,6E)-7-chloro-1-[[3,3-dimethyl-2-[[(2Z,4Z,6E)-6-methyl-8-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)nona-2,4,6-trienoyl]amino]butanoyl]amino]octa-1,6-dien-4-yl] carbamate;[(1Z,6E)-7-chloro-1-[[3,3-dimethyl-2-[[(2Z,4E,6E)-6-methyl-8-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)nona-2,4,6-trienoyl]amino]butanoyl]amino]octa-1,6-dien-4-yl] carbamate;[(1Z,6E)-7-chloro-1-[[3,3-dimethyl-2-[[(2E,4Z,6E)-6-methyl-8-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)nona-2,4,6-trienoyl]amino]butanoyl]amino]octa-1,6-dien-4-yl] carbamate;[(1Z,6E)-7-chloro-1-[[3,3-dimethyl-2-[[(2E,4E,6E)-6-methyl-8-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)nona-2,4,6-trienoyl]amino]butanoyl]amino]octa-1,6-dien-4-yl] carbamate;[(1Z,6E)-7-chloro-1-[[3-methyl-2-[[(2Z,4Z,6E)-6-methyl-8-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)nona-2,4,6-trienoyl]amino]butanoyl]amino]octa-1,6-dien-4-yl] carbamate;[(1Z,6E)-7-chloro-1-[[3-methyl-2-[[(2Z,4E,6E)-6-methyl-8-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)nona-2,4,6-trienoyl]amino]butanoyl]amino]octa-1,6-dien-4-yl] carbamate;[(1Z,6Z)-1-[[3,3-dimethyl-2-[[(2Z,4Z,6E)-6-methyl-8-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)nona-2,4,6-trienoyl]amino]butanoyl]amino]octa-1,6-dien-4-yl] carbamate (CID 159453931) is (2Z,4Z,6E)-N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-6-methyl-8-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)nona-2,4,6-trienamide;[(1Z,6E)-7-chloro-1-[[3,3-dimethyl-2-[[(2Z,4Z,6E)-6-methyl-8-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)nona-2,4,6-trienoyl]amino]butanoyl]amino]octa-1,6-dien-4-yl] carbamate;[(1Z,6E)-7-chloro-1-[[3,3-dimethyl-2-[[(2Z,4E,6E)-6-methyl-8-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)nona-2,4,6-trienoyl]amino]butanoyl]amino]octa-1,6-dien-4-yl] carbamate;[(1Z,6E)-7-chloro-1-[[3,3-dimethyl-2-[[(2E,4Z,6E)-6-methyl-8-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)nona-2,4,6-trienoyl]amino]butanoyl]amino]octa-1,6-dien-4-yl] carbamate;[(1Z,6E)-7-chloro-1-[[3,3-dimethyl-2-[[(2E,4E,6E)-6-methyl-8-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)nona-2,4,6-trienoyl]amino]butanoyl]amino]octa-1,6-dien-4-yl] carbamate;[(1Z,6E)-7-chloro-1-[[3-methyl-2-[[(2Z,4Z,6E)-6-methyl-8-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)nona-2,4,6-trienoyl]amino]butanoyl]amino]octa-1,6-dien-4-yl] carbamate;[(1Z,6E)-7-chloro-1-[[3-methyl-2-[[(2Z,4E,6E)-6-methyl-8-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)nona-2,4,6-trienoyl]amino]butanoyl]amino]octa-1,6-dien-4-yl] carbamate;[(1Z,6Z)-1-[[3,3-dimethyl-2-[[(2Z,4Z,6E)-6-methyl-8-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)nona-2,4,6-trienoyl]amino]butanoyl]amino]octa-1,6-dien-4-yl] carbamate.

What is the SMILES notation for (2Z,4Z,6E)-N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-6-methyl-8-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)nona-2,4,6-trienamide;[(1Z,6E)-7-chloro-1-[[3,3-dimethyl-2-[[(2Z,4Z,6E)-6-methyl-8-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)nona-2,4,6-trienoyl]amino]butanoyl]amino]octa-1,6-dien-4-yl] carbamate;[(1Z,6E)-7-chloro-1-[[3,3-dimethyl-2-[[(2Z,4E,6E)-6-methyl-8-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)nona-2,4,6-trienoyl]amino]butanoyl]amino]octa-1,6-dien-4-yl] carbamate;[(1Z,6E)-7-chloro-1-[[3,3-dimethyl-2-[[(2E,4Z,6E)-6-methyl-8-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)nona-2,4,6-trienoyl]amino]butanoyl]amino]octa-1,6-dien-4-yl] carbamate;[(1Z,6E)-7-chloro-1-[[3,3-dimethyl-2-[[(2E,4E,6E)-6-methyl-8-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)nona-2,4,6-trienoyl]amino]butanoyl]amino]octa-1,6-dien-4-yl] carbamate;[(1Z,6E)-7-chloro-1-[[3-methyl-2-[[(2Z,4Z,6E)-6-methyl-8-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)nona-2,4,6-trienoyl]amino]butanoyl]amino]octa-1,6-dien-4-yl] carbamate;[(1Z,6E)-7-chloro-1-[[3-methyl-2-[[(2Z,4E,6E)-6-methyl-8-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)nona-2,4,6-trienoyl]amino]butanoyl]amino]octa-1,6-dien-4-yl] carbamate;[(1Z,6Z)-1-[[3,3-dimethyl-2-[[(2Z,4Z,6E)-6-methyl-8-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)nona-2,4,6-trienoyl]amino]butanoyl]amino]octa-1,6-dien-4-yl] carbamate?

The canonical SMILES for (2Z,4Z,6E)-N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-6-methyl-8-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)nona-2,4,6-trienamide;[(1Z,6E)-7-chloro-1-[[3,3-dimethyl-2-[[(2Z,4Z,6E)-6-methyl-8-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)nona-2,4,6-trienoyl]amino]butanoyl]amino]octa-1,6-dien-4-yl] carbamate;[(1Z,6E)-7-chloro-1-[[3,3-dimethyl-2-[[(2Z,4E,6E)-6-methyl-8-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)nona-2,4,6-trienoyl]amino]butanoyl]amino]octa-1,6-dien-4-yl] carbamate;[(1Z,6E)-7-chloro-1-[[3,3-dimethyl-2-[[(2E,4Z,6E)-6-methyl-8-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)nona-2,4,6-trienoyl]amino]butanoyl]amino]octa-1,6-dien-4-yl] carbamate;[(1Z,6E)-7-chloro-1-[[3,3-dimethyl-2-[[(2E,4E,6E)-6-methyl-8-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)nona-2,4,6-trienoyl]amino]butanoyl]amino]octa-1,6-dien-4-yl] carbamate;[(1Z,6E)-7-chloro-1-[[3-methyl-2-[[(2Z,4Z,6E)-6-methyl-8-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)nona-2,4,6-trienoyl]amino]butanoyl]amino]octa-1,6-dien-4-yl] carbamate;[(1Z,6E)-7-chloro-1-[[3-methyl-2-[[(2Z,4E,6E)-6-methyl-8-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)nona-2,4,6-trienoyl]amino]butanoyl]amino]octa-1,6-dien-4-yl] carbamate;[(1Z,6Z)-1-[[3,3-dimethyl-2-[[(2Z,4Z,6E)-6-methyl-8-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)nona-2,4,6-trienoyl]amino]butanoyl]amino]octa-1,6-dien-4-yl] carbamate is C/C=C\CC(C/C=C\NC(=O)C(NC(=O)/C=C\C=C/C(C)=C/C(C)C1CC=C(C)C(=O)O1)C(C)(C)C)OC(N)=O.CC1=CCC(C(C)/C=C(C)/C=C/C=C/C(=O)NC(C(=O)N/C=C\CC(C/C=C(\C)Cl)OC(N)=O)C(C)(C)C)OC1=O.CC1=CCC(C(C)/C=C(C)/C=C/C=C\C(=O)NC(C(=O)N/C=C\CC(C/C=C(\C)Cl)OC(N)=O)C(C)(C)C)OC1=O.CC1=CCC(C(C)/C=C(C)/C=C/C=C\C(=O)NC(C(=O)N/C=C\CC(C/C=C(\C)Cl)OC(N)=O)C(C)C)OC1=O.CC1=CCC(C(C)/C=C(C)/C=C\C=C/C(=O)NC(C(=O)N/C=C\CC(C/C=C(\C)Cl)OC(N)=O)C(C)(C)C)OC1=O.CC1=CCC(C(C)/C=C(C)/C=C\C=C/C(=O)NC(C(=O)N/C=C\CC(C/C=C(\C)Cl)OC(N)=O)C(C)C)OC1=O.CC1=CCC(C(C)/C=C(C)/C=C\C=C/C(=O)NC(C(N)=O)C(C)(C)C)OC1=O.CC1=CCC(C(C)/C=C(C)/C=C\C=C\C(=O)NC(C(=O)N/C=C\CC(C/C=C(\C)Cl)OC(N)=O)C(C)(C)C)OC1=O.

What is the InChIKey of (2Z,4Z,6E)-N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-6-methyl-8-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)nona-2,4,6-trienamide;[(1Z,6E)-7-chloro-1-[[3,3-dimethyl-2-[[(2Z,4Z,6E)-6-methyl-8-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)nona-2,4,6-trienoyl]amino]butanoyl]amino]octa-1,6-dien-4-yl] carbamate;[(1Z,6E)-7-chloro-1-[[3,3-dimethyl-2-[[(2Z,4E,6E)-6-methyl-8-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)nona-2,4,6-trienoyl]amino]butanoyl]amino]octa-1,6-dien-4-yl] carbamate;[(1Z,6E)-7-chloro-1-[[3,3-dimethyl-2-[[(2E,4Z,6E)-6-methyl-8-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)nona-2,4,6-trienoyl]amino]butanoyl]amino]octa-1,6-dien-4-yl] carbamate;[(1Z,6E)-7-chloro-1-[[3,3-dimethyl-2-[[(2E,4E,6E)-6-methyl-8-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)nona-2,4,6-trienoyl]amino]butanoyl]amino]octa-1,6-dien-4-yl] carbamate;[(1Z,6E)-7-chloro-1-[[3-methyl-2-[[(2Z,4Z,6E)-6-methyl-8-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)nona-2,4,6-trienoyl]amino]butanoyl]amino]octa-1,6-dien-4-yl] carbamate;[(1Z,6E)-7-chloro-1-[[3-methyl-2-[[(2Z,4E,6E)-6-methyl-8-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)nona-2,4,6-trienoyl]amino]butanoyl]amino]octa-1,6-dien-4-yl] carbamate;[(1Z,6Z)-1-[[3,3-dimethyl-2-[[(2Z,4Z,6E)-6-methyl-8-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)nona-2,4,6-trienoyl]amino]butanoyl]amino]octa-1,6-dien-4-yl] carbamate?

The InChIKey is LTSMYYWLAFFIBN-FVBIQITISA-N. The full InChI is InChI=1S/4C31H44ClN3O6.C31H45N3O6.2C30H42ClN3O6.C22H32N2O4/c4*1-20(19-22(3)25-17-14-21(2)29(38)41-25)11-8-9-13-26(36)35-27(31(5,6)7)28(37)34-18-10-12-24(40-30(33)39)16-15-23(4)32;1-8-9-14-24(39-30(32)38)15-12-19-33-28(36)27(31(5,6)7)34-26(35)16-11-10-13-21(2)20-23(4)25-18-17-22(3)29(37)40-25;2*1-19(2)27(28(36)33-17-9-11-24(39-30(32)38)15-14-23(6)31)34-26(35)12-8-7-10-20(3)18-22(5)25-16-13-21(4)29(37)40-25;1-14(13-16(3)17-12-11-15(2)21(27)28-17)9-7-8-10-18(25)24-19(20(23)26)22(4,5)6/h4*8-11,13-15,18-19,22,24-25,27H,12,16-17H2,1-7H3,(H2,33,39)(H,34,37)(H,35,36);8-13,16-17,19-20,23-25,27H,14-15,18H2,1-7H3,(H2,32,38)(H,33,36)(H,34,35);2*7-10,12-14,17-19,22,24-25,27H,11,15-16H2,1-6H3,(H2,32,38)(H,33,36)(H,34,35);7-11,13,16-17,19H,12H2,1-6H3,(H2,23,26)(H,24,25)/b11-8+,13-9+,18-10-,20-19+,23-15+;11-8+,13-9-,18-10-,20-19+,23-15+;11-8-,13-9+,18-10-,20-19+,23-15+;11-8-,13-9-,18-10-,20-19+,23-15+;9-8-,13-10-,16-11-,19-12-,21-20+;10-7+,12-8-,17-9-,20-18+,23-14+;10-7-,12-8-,17-9-,20-18+,23-14+;9-7-,10-8-,14-13+.

What are the key properties of (2Z,4Z,6E)-N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-6-methyl-8-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)nona-2,4,6-trienamide;[(1Z,6E)-7-chloro-1-[[3,3-dimethyl-2-[[(2Z,4Z,6E)-6-methyl-8-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)nona-2,4,6-trienoyl]amino]butanoyl]amino]octa-1,6-dien-4-yl] carbamate;[(1Z,6E)-7-chloro-1-[[3,3-dimethyl-2-[[(2Z,4E,6E)-6-methyl-8-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)nona-2,4,6-trienoyl]amino]butanoyl]amino]octa-1,6-dien-4-yl] carbamate;[(1Z,6E)-7-chloro-1-[[3,3-dimethyl-2-[[(2E,4Z,6E)-6-methyl-8-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)nona-2,4,6-trienoyl]amino]butanoyl]amino]octa-1,6-dien-4-yl] carbamate;[(1Z,6E)-7-chloro-1-[[3,3-dimethyl-2-[[(2E,4E,6E)-6-methyl-8-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)nona-2,4,6-trienoyl]amino]butanoyl]amino]octa-1,6-dien-4-yl] carbamate;[(1Z,6E)-7-chloro-1-[[3-methyl-2-[[(2Z,4Z,6E)-6-methyl-8-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)nona-2,4,6-trienoyl]amino]butanoyl]amino]octa-1,6-dien-4-yl] carbamate;[(1Z,6E)-7-chloro-1-[[3-methyl-2-[[(2Z,4E,6E)-6-methyl-8-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)nona-2,4,6-trienoyl]amino]butanoyl]amino]octa-1,6-dien-4-yl] carbamate;[(1Z,6Z)-1-[[3,3-dimethyl-2-[[(2Z,4Z,6E)-6-methyl-8-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)nona-2,4,6-trienoyl]amino]butanoyl]amino]octa-1,6-dien-4-yl] carbamate?

(2Z,4Z,6E)-N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-6-methyl-8-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)nona-2,4,6-trienamide;[(1Z,6E)-7-chloro-1-[[3,3-dimethyl-2-[[(2Z,4Z,6E)-6-methyl-8-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)nona-2,4,6-trienoyl]amino]butanoyl]amino]octa-1,6-dien-4-yl] carbamate;[(1Z,6E)-7-chloro-1-[[3,3-dimethyl-2-[[(2Z,4E,6E)-6-methyl-8-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)nona-2,4,6-trienoyl]amino]butanoyl]amino]octa-1,6-dien-4-yl] carbamate;[(1Z,6E)-7-chloro-1-[[3,3-dimethyl-2-[[(2E,4Z,6E)-6-methyl-8-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)nona-2,4,6-trienoyl]amino]butanoyl]amino]octa-1,6-dien-4-yl] carbamate;[(1Z,6E)-7-chloro-1-[[3,3-dimethyl-2-[[(2E,4E,6E)-6-methyl-8-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)nona-2,4,6-trienoyl]amino]butanoyl]amino]octa-1,6-dien-4-yl] carbamate;[(1Z,6E)-7-chloro-1-[[3-methyl-2-[[(2Z,4Z,6E)-6-methyl-8-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)nona-2,4,6-trienoyl]amino]butanoyl]amino]octa-1,6-dien-4-yl] carbamate;[(1Z,6E)-7-chloro-1-[[3-methyl-2-[[(2Z,4E,6E)-6-methyl-8-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)nona-2,4,6-trienoyl]amino]butanoyl]amino]octa-1,6-dien-4-yl] carbamate;[(1Z,6Z)-1-[[3,3-dimethyl-2-[[(2Z,4Z,6E)-6-methyl-8-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)nona-2,4,6-trienoyl]amino]butanoyl]amino]octa-1,6-dien-4-yl] carbamate has a molecular weight of 4457.14 g/mol, XLogP of 40.05, 100 rotatable bonds, 23 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z,4Z,6E)-N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-6-methyl-8-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)nona-2,4,6-trienamide;[(1Z,6E)-7-chloro-1-[[3,3-dimethyl-2-[[(2Z,4Z,6E)-6-methyl-8-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)nona-2,4,6-trienoyl]amino]butanoyl]amino]octa-1,6-dien-4-yl] carbamate;[(1Z,6E)-7-chloro-1-[[3,3-dimethyl-2-[[(2Z,4E,6E)-6-methyl-8-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)nona-2,4,6-trienoyl]amino]butanoyl]amino]octa-1,6-dien-4-yl] carbamate;[(1Z,6E)-7-chloro-1-[[3,3-dimethyl-2-[[(2E,4Z,6E)-6-methyl-8-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)nona-2,4,6-trienoyl]amino]butanoyl]amino]octa-1,6-dien-4-yl] carbamate;[(1Z,6E)-7-chloro-1-[[3,3-dimethyl-2-[[(2E,4E,6E)-6-methyl-8-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)nona-2,4,6-trienoyl]amino]butanoyl]amino]octa-1,6-dien-4-yl] carbamate;[(1Z,6E)-7-chloro-1-[[3-methyl-2-[[(2Z,4Z,6E)-6-methyl-8-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)nona-2,4,6-trienoyl]amino]butanoyl]amino]octa-1,6-dien-4-yl] carbamate;[(1Z,6E)-7-chloro-1-[[3-methyl-2-[[(2Z,4E,6E)-6-methyl-8-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)nona-2,4,6-trienoyl]amino]butanoyl]amino]octa-1,6-dien-4-yl] carbamate;[(1Z,6Z)-1-[[3,3-dimethyl-2-[[(2Z,4Z,6E)-6-methyl-8-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)nona-2,4,6-trienoyl]amino]butanoyl]amino]octa-1,6-dien-4-yl] carbamate is sourced from PubChem (CID 159453931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).