(6E,10E)-4-(2-aminoethyl)-15-chloro-16,18-dihydroxy-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(6E,10E)-4-(2-aminoethyl)-16,18-dihydroxy-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(6E,10E)-4-(2-azidoethyl)-15-chloro-16,18-dihydroxy-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(6E,10E)-4-(2-azidoethyl)-16,18-dihydroxy-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(4R,6E,10E,12E)-8-butoxy-15-chloro-16,18-dihydroxy-4-methyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(6E,10E,12Z)-8-butoxy-15-chloro-16,18-dihydroxy-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(4R,6E,10E,12E)-8-butoxy-16,18-dihydroxy-4-methyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(6E,10E,12Z)-8-butoxy-16,18-dihydroxy-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;N-[2-[(6E,10E)-15-chloro-16,18-dihydroxy-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-4-yl]ethyl]acetamide

C246H324Cl5N27O59 — CID 172986058

About (6E,10E)-4-(2-aminoethyl)-15-chloro-16,18-dihydroxy-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(6E,10E)-4-(2-aminoethyl)-16,18-dihydroxy-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(6E,10E)-4-(2-azidoethyl)-15-chloro-16,18-dihydroxy-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(6E,10E)-4-(2-azidoethyl)-16,18-dihydroxy-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(4R,6E,10E,12E)-8-butoxy-15-chloro-16,18-dihydroxy-4-methyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(6E,10E,12Z)-8-butoxy-15-chloro-16,18-dihydroxy-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(4R,6E,10E,12E)-8-butoxy-16,18-dihydroxy-4-methyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(6E,10E,12Z)-8-butoxy-16,18-dihydroxy-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;N-[2-[(6E,10E)-15-chloro-16,18-dihydroxy-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-4-yl]ethyl]acetamide

(6E,10E)-4-(2-aminoethyl)-15-chloro-16,18-dihydroxy-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(6E,10E)-4-(2-aminoethyl)-16,18-dihydroxy-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(6E,10E)-4-(2-azidoethyl)-15-chloro-16,18-dihydroxy-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(6E,10E)-4-(2-azidoethyl)-16,18-dihydroxy-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(4R,6E,10E,12E)-8-butoxy-15-chloro-16,18-dihydroxy-4-methyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(6E,10E,12Z)-8-butoxy-15-chloro-16,18-dihydroxy-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(4R,6E,10E,12E)-8-butoxy-16,18-dihydroxy-4-methyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(6E,10E,12Z)-8-butoxy-16,18-dihydroxy-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;N-[2-[(6E,10E)-15-chloro-16,18-dihydroxy-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-4-yl]ethyl]acetamide (PubChem CID 172986058) has the molecular formula C246H324Cl5N27O59 and a molecular weight of 4780.69 g/mol. Its IUPAC name is (6E,10E)-4-(2-aminoethyl)-15-chloro-16,18-dihydroxy-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(6E,10E)-4-(2-aminoethyl)-16,18-dihydroxy-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(6E,10E)-4-(2-azidoethyl)-15-chloro-16,18-dihydroxy-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(6E,10E)-4-(2-azidoethyl)-16,18-dihydroxy-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(4R,6E,10E,12E)-8-butoxy-15-chloro-16,18-dihydroxy-4-methyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(6E,10E,12Z)-8-butoxy-15-chloro-16,18-dihydroxy-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(4R,6E,10E,12E)-8-butoxy-16,18-dihydroxy-4-methyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(6E,10E,12Z)-8-butoxy-16,18-dihydroxy-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;N-[2-[(6E,10E)-15-chloro-16,18-dihydroxy-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-4-yl]ethyl]acetamide.

Molecular Properties

• Compound Name: (6E,10E)-4-(2-aminoethyl)-15-chloro-16,18-dihydroxy-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(6E,10E)-4-(2-aminoethyl)-16,18-dihydroxy-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(6E,10E)-4-(2-azidoethyl)-15-chloro-16,18-dihydroxy-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(6E,10E)-4-(2-azidoethyl)-16,18-dihydroxy-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(4R,6E,10E,12E)-8-butoxy-15-chloro-16,18-dihydroxy-4-methyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(6E,10E,12Z)-8-butoxy-15-chloro-16,18-dihydroxy-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(4R,6E,10E,12E)-8-butoxy-16,18-dihydroxy-4-methyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(6E,10E,12Z)-8-butoxy-16,18-dihydroxy-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;N-[2-[(6E,10E)-15-chloro-16,18-dihydroxy-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-4-yl]ethyl]acetamide
• PubChem CID: 172986058
• Molecular Formula: C246H324Cl5N27O59
• Molecular Weight: 4780.69 g/mol
• Exact Mass: 4775.16
• IUPAC Name: (6E,10E)-4-(2-aminoethyl)-15-chloro-16,18-dihydroxy-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(6E,10E)-4-(2-aminoethyl)-16,18-dihydroxy-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(6E,10E)-4-(2-azidoethyl)-15-chloro-16,18-dihydroxy-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(6E,10E)-4-(2-azidoethyl)-16,18-dihydroxy-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(4R,6E,10E,12E)-8-butoxy-15-chloro-16,18-dihydroxy-4-methyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(6E,10E,12Z)-8-butoxy-15-chloro-16,18-dihydroxy-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(4R,6E,10E,12E)-8-butoxy-16,18-dihydroxy-4-methyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(6E,10E,12Z)-8-butoxy-16,18-dihydroxy-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;N-[2-[(6E,10E)-15-chloro-16,18-dihydroxy-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-4-yl]ethyl]acetamide
• SMILES: CC(=O)NCCC1C/C=C/CC/C=C/C(=NOCC(=O)N2CCCCC2)Cc2c(Cl)c(O)cc(O)c2C(=O)O1.CCCCOC1/C=C/CCOC(=O)c2c(O)cc(O)c(Cl)c2CC(=N/OCC(=O)N2CCCCC2)/C=C/C1.CCCCOC1/C=C/CCOC(=O)c2c(O)cc(O)cc2CC(=N/OCC(=O)N2CCCCC2)/C=C/C1.CCCCOC1/C=C/C[C@@H](C)OC(=O)c2c(O)cc(O)c(Cl)c2CC(=N\OCC(=O)N2CCCCC2)/C=C/C1.CCCCOC1/C=C/C[C@@H](C)OC(=O)c2c(O)cc(O)cc2CC(=N\OCC(=O)N2CCCCC2)/C=C/C1.NCCC1C/C=C/CC/C=C/C(=NOCC(=O)N2CCCCC2)Cc2c(Cl)c(O)cc(O)c2C(=O)O1.NCCC1C/C=C/CC/C=C/C(=NOCC(=O)N2CCCCC2)Cc2cc(O)cc(O)c2C(=O)O1.[N-]=[N+]=NCCC1C/C=C/CC/C=C/C(=NOCC(=O)N2CCCCC2)Cc2c(Cl)c(O)cc(O)c2C(=O)O1.[N-]=[N+]=NCCC1C/C=C/CC/C=C/C(=NOCC(=O)N2CCCCC2)Cc2cc(O)cc(O)c2C(=O)O1
• InChI: InChI=1S/C29H39ClN2O7.C29H40N2O7.C28H36ClN3O7.C28H37ClN2O7.C28H38N2O7.C26H32ClN5O6.C26H34ClN3O6.C26H33N5O6.C26H35N3O6/c1-3-4-16-37-22-12-8-10-20(2)39-29(36)27-23(28(30)25(34)18-24(27)33)17-21(11-9-13-22)31-38-19-26(35)32-14-6-5-7-15-32;1-3-4-16-36-25-12-8-10-21(2)38-29(35)28-22(18-24(32)19-26(28)33)17-23(11-9-13-25)30-37-20-27(34)31-14-6-5-7-15-31;1-19(33)30-13-12-21-11-7-4-2-3-6-10-20(31-38-18-25(36)32-14-8-5-9-15-32)16-22-26(28(37)39-21)23(34)17-24(35)27(22)29;1-2-3-15-36-21-11-5-8-16-37-28(35)26-22(27(29)24(33)18-23(26)32)17-20(10-9-12-21)30-38-19-25(34)31-13-6-4-7-14-31;1-2-3-15-35-24-11-5-8-16-36-28(34)27-21(18-23(31)19-25(27)32)17-22(10-9-12-24)29-37-20-26(33)30-13-6-4-7-14-30;27-25-20-15-18(30-37-17-23(35)32-13-7-4-8-14-32)9-5-2-1-3-6-10-19(11-12-29-31-28)38-26(36)24(20)21(33)16-22(25)34;27-25-20-15-18(29-35-17-23(33)30-13-7-4-8-14-30)9-5-2-1-3-6-10-19(11-12-28)36-26(34)24(20)21(31)16-22(25)32;27-30-28-12-11-22-10-6-3-1-2-5-9-20(29-36-18-24(34)31-13-7-4-8-14-31)15-19-16-21(32)17-23(33)25(19)26(35)37-22;27-12-11-22-10-6-3-1-2-5-9-20(28-34-18-24(32)29-13-7-4-8-14-29)15-19-16-21(30)17-23(31)25(19)26(33)35-22/h8-9,11-12,18,20,22,33-34H,3-7,10,13-17,19H2,1-2H3;8-9,11-12,18-19,21,25,32-33H,3-7,10,13-17,20H2,1-2H3;4,6-7,10,17,21,34-35H,2-3,5,8-9,11-16,18H2,1H3,(H,30,33);5,9-11,18,21,32-33H,2-4,6-8,12-17,19H2,1H3;5,9-11,18-19,24,31-32H,2-4,6-8,12-17,20H2,1H3;3,5-6,9,16,19,33-34H,1-2,4,7-8,10-15,17H2;3,5-6,9,16,19,31-32H,1-2,4,7-8,10-15,17,28H2;3,5-6,9,16-17,22,32-33H,1-2,4,7-8,10-15,18H2;3,5-6,9,16-17,22,30-31H,1-2,4,7-8,10-15,18,27H2/b11-9+,12-8+,31-21-;11-9+,12-8+,30-23-;7-4+,10-6+,31-20?;10-9+,11-5+,30-20+;10-9+,11-5+,29-22+;6-3+,9-5+,30-18?;6-3+,9-5+,29-18?;6-3+,9-5+,29-20?;6-3+,9-5+,28-20?/t20-,22?;21-,25?;;;;;;;/m11......./s1
• InChIKey: OGLBUDDKSZLTFT-FZXGJQGXSA-N
• XLogP: 40.00
• TPSA: 1193.52 Ų
• H-Bond Donors: 21
• H-Bond Acceptors: 72
• Rotatable Bonds: 56
• Heavy Atoms: 337
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4780.69
LogP ≤ 5	40.00
H-Bond Donors ≤ 5	21
H-Bond Acceptors ≤ 10	72

Frequently Asked Questions

What is the IUPAC name of (6E,10E)-4-(2-aminoethyl)-15-chloro-16,18-dihydroxy-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(6E,10E)-4-(2-aminoethyl)-16,18-dihydroxy-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(6E,10E)-4-(2-azidoethyl)-15-chloro-16,18-dihydroxy-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(6E,10E)-4-(2-azidoethyl)-16,18-dihydroxy-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(4R,6E,10E,12E)-8-butoxy-15-chloro-16,18-dihydroxy-4-methyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(6E,10E,12Z)-8-butoxy-15-chloro-16,18-dihydroxy-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(4R,6E,10E,12E)-8-butoxy-16,18-dihydroxy-4-methyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(6E,10E,12Z)-8-butoxy-16,18-dihydroxy-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;N-[2-[(6E,10E)-15-chloro-16,18-dihydroxy-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-4-yl]ethyl]acetamide?

The IUPAC name of (6E,10E)-4-(2-aminoethyl)-15-chloro-16,18-dihydroxy-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(6E,10E)-4-(2-aminoethyl)-16,18-dihydroxy-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(6E,10E)-4-(2-azidoethyl)-15-chloro-16,18-dihydroxy-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(6E,10E)-4-(2-azidoethyl)-16,18-dihydroxy-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(4R,6E,10E,12E)-8-butoxy-15-chloro-16,18-dihydroxy-4-methyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(6E,10E,12Z)-8-butoxy-15-chloro-16,18-dihydroxy-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(4R,6E,10E,12E)-8-butoxy-16,18-dihydroxy-4-methyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(6E,10E,12Z)-8-butoxy-16,18-dihydroxy-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;N-[2-[(6E,10E)-15-chloro-16,18-dihydroxy-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-4-yl]ethyl]acetamide (CID 172986058) is (6E,10E)-4-(2-aminoethyl)-15-chloro-16,18-dihydroxy-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(6E,10E)-4-(2-aminoethyl)-16,18-dihydroxy-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(6E,10E)-4-(2-azidoethyl)-15-chloro-16,18-dihydroxy-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(6E,10E)-4-(2-azidoethyl)-16,18-dihydroxy-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(4R,6E,10E,12E)-8-butoxy-15-chloro-16,18-dihydroxy-4-methyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(6E,10E,12Z)-8-butoxy-15-chloro-16,18-dihydroxy-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(4R,6E,10E,12E)-8-butoxy-16,18-dihydroxy-4-methyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(6E,10E,12Z)-8-butoxy-16,18-dihydroxy-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;N-[2-[(6E,10E)-15-chloro-16,18-dihydroxy-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-4-yl]ethyl]acetamide.

What is the SMILES notation for (6E,10E)-4-(2-aminoethyl)-15-chloro-16,18-dihydroxy-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(6E,10E)-4-(2-aminoethyl)-16,18-dihydroxy-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(6E,10E)-4-(2-azidoethyl)-15-chloro-16,18-dihydroxy-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(6E,10E)-4-(2-azidoethyl)-16,18-dihydroxy-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(4R,6E,10E,12E)-8-butoxy-15-chloro-16,18-dihydroxy-4-methyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(6E,10E,12Z)-8-butoxy-15-chloro-16,18-dihydroxy-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(4R,6E,10E,12E)-8-butoxy-16,18-dihydroxy-4-methyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(6E,10E,12Z)-8-butoxy-16,18-dihydroxy-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;N-[2-[(6E,10E)-15-chloro-16,18-dihydroxy-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-4-yl]ethyl]acetamide?

The canonical SMILES for (6E,10E)-4-(2-aminoethyl)-15-chloro-16,18-dihydroxy-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(6E,10E)-4-(2-aminoethyl)-16,18-dihydroxy-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(6E,10E)-4-(2-azidoethyl)-15-chloro-16,18-dihydroxy-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(6E,10E)-4-(2-azidoethyl)-16,18-dihydroxy-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(4R,6E,10E,12E)-8-butoxy-15-chloro-16,18-dihydroxy-4-methyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(6E,10E,12Z)-8-butoxy-15-chloro-16,18-dihydroxy-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(4R,6E,10E,12E)-8-butoxy-16,18-dihydroxy-4-methyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(6E,10E,12Z)-8-butoxy-16,18-dihydroxy-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;N-[2-[(6E,10E)-15-chloro-16,18-dihydroxy-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-4-yl]ethyl]acetamide is CC(=O)NCCC1C/C=C/CC/C=C/C(=NOCC(=O)N2CCCCC2)Cc2c(Cl)c(O)cc(O)c2C(=O)O1.CCCCOC1/C=C/CCOC(=O)c2c(O)cc(O)c(Cl)c2CC(=N/OCC(=O)N2CCCCC2)/C=C/C1.CCCCOC1/C=C/CCOC(=O)c2c(O)cc(O)cc2CC(=N/OCC(=O)N2CCCCC2)/C=C/C1.CCCCOC1/C=C/C[C@@H](C)OC(=O)c2c(O)cc(O)c(Cl)c2CC(=N\OCC(=O)N2CCCCC2)/C=C/C1.CCCCOC1/C=C/C[C@@H](C)OC(=O)c2c(O)cc(O)cc2CC(=N\OCC(=O)N2CCCCC2)/C=C/C1.NCCC1C/C=C/CC/C=C/C(=NOCC(=O)N2CCCCC2)Cc2c(Cl)c(O)cc(O)c2C(=O)O1.NCCC1C/C=C/CC/C=C/C(=NOCC(=O)N2CCCCC2)Cc2cc(O)cc(O)c2C(=O)O1.[N-]=[N+]=NCCC1C/C=C/CC/C=C/C(=NOCC(=O)N2CCCCC2)Cc2c(Cl)c(O)cc(O)c2C(=O)O1.[N-]=[N+]=NCCC1C/C=C/CC/C=C/C(=NOCC(=O)N2CCCCC2)Cc2cc(O)cc(O)c2C(=O)O1.

What is the InChIKey of (6E,10E)-4-(2-aminoethyl)-15-chloro-16,18-dihydroxy-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(6E,10E)-4-(2-aminoethyl)-16,18-dihydroxy-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(6E,10E)-4-(2-azidoethyl)-15-chloro-16,18-dihydroxy-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(6E,10E)-4-(2-azidoethyl)-16,18-dihydroxy-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(4R,6E,10E,12E)-8-butoxy-15-chloro-16,18-dihydroxy-4-methyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(6E,10E,12Z)-8-butoxy-15-chloro-16,18-dihydroxy-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(4R,6E,10E,12E)-8-butoxy-16,18-dihydroxy-4-methyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(6E,10E,12Z)-8-butoxy-16,18-dihydroxy-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;N-[2-[(6E,10E)-15-chloro-16,18-dihydroxy-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-4-yl]ethyl]acetamide?

The InChIKey is OGLBUDDKSZLTFT-FZXGJQGXSA-N. The full InChI is InChI=1S/C29H39ClN2O7.C29H40N2O7.C28H36ClN3O7.C28H37ClN2O7.C28H38N2O7.C26H32ClN5O6.C26H34ClN3O6.C26H33N5O6.C26H35N3O6/c1-3-4-16-37-22-12-8-10-20(2)39-29(36)27-23(28(30)25(34)18-24(27)33)17-21(11-9-13-22)31-38-19-26(35)32-14-6-5-7-15-32;1-3-4-16-36-25-12-8-10-21(2)38-29(35)28-22(18-24(32)19-26(28)33)17-23(11-9-13-25)30-37-20-27(34)31-14-6-5-7-15-31;1-19(33)30-13-12-21-11-7-4-2-3-6-10-20(31-38-18-25(36)32-14-8-5-9-15-32)16-22-26(28(37)39-21)23(34)17-24(35)27(22)29;1-2-3-15-36-21-11-5-8-16-37-28(35)26-22(27(29)24(33)18-23(26)32)17-20(10-9-12-21)30-38-19-25(34)31-13-6-4-7-14-31;1-2-3-15-35-24-11-5-8-16-36-28(34)27-21(18-23(31)19-25(27)32)17-22(10-9-12-24)29-37-20-26(33)30-13-6-4-7-14-30;27-25-20-15-18(30-37-17-23(35)32-13-7-4-8-14-32)9-5-2-1-3-6-10-19(11-12-29-31-28)38-26(36)24(20)21(33)16-22(25)34;27-25-20-15-18(29-35-17-23(33)30-13-7-4-8-14-30)9-5-2-1-3-6-10-19(11-12-28)36-26(34)24(20)21(31)16-22(25)32;27-30-28-12-11-22-10-6-3-1-2-5-9-20(29-36-18-24(34)31-13-7-4-8-14-31)15-19-16-21(32)17-23(33)25(19)26(35)37-22;27-12-11-22-10-6-3-1-2-5-9-20(28-34-18-24(32)29-13-7-4-8-14-29)15-19-16-21(30)17-23(31)25(19)26(33)35-22/h8-9,11-12,18,20,22,33-34H,3-7,10,13-17,19H2,1-2H3;8-9,11-12,18-19,21,25,32-33H,3-7,10,13-17,20H2,1-2H3;4,6-7,10,17,21,34-35H,2-3,5,8-9,11-16,18H2,1H3,(H,30,33);5,9-11,18,21,32-33H,2-4,6-8,12-17,19H2,1H3;5,9-11,18-19,24,31-32H,2-4,6-8,12-17,20H2,1H3;3,5-6,9,16,19,33-34H,1-2,4,7-8,10-15,17H2;3,5-6,9,16,19,31-32H,1-2,4,7-8,10-15,17,28H2;3,5-6,9,16-17,22,32-33H,1-2,4,7-8,10-15,18H2;3,5-6,9,16-17,22,30-31H,1-2,4,7-8,10-15,18,27H2/b11-9+,12-8+,31-21-;11-9+,12-8+,30-23-;7-4+,10-6+,31-20?;10-9+,11-5+,30-20+;10-9+,11-5+,29-22+;6-3+,9-5+,30-18?;6-3+,9-5+,29-18?;6-3+,9-5+,29-20?;6-3+,9-5+,28-20?/t20-,22?;21-,25?;;;;;;;/m11......./s1.

What are the key properties of (6E,10E)-4-(2-aminoethyl)-15-chloro-16,18-dihydroxy-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(6E,10E)-4-(2-aminoethyl)-16,18-dihydroxy-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(6E,10E)-4-(2-azidoethyl)-15-chloro-16,18-dihydroxy-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(6E,10E)-4-(2-azidoethyl)-16,18-dihydroxy-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(4R,6E,10E,12E)-8-butoxy-15-chloro-16,18-dihydroxy-4-methyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(6E,10E,12Z)-8-butoxy-15-chloro-16,18-dihydroxy-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(4R,6E,10E,12E)-8-butoxy-16,18-dihydroxy-4-methyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(6E,10E,12Z)-8-butoxy-16,18-dihydroxy-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;N-[2-[(6E,10E)-15-chloro-16,18-dihydroxy-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-4-yl]ethyl]acetamide?

(6E,10E)-4-(2-aminoethyl)-15-chloro-16,18-dihydroxy-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(6E,10E)-4-(2-aminoethyl)-16,18-dihydroxy-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(6E,10E)-4-(2-azidoethyl)-15-chloro-16,18-dihydroxy-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(6E,10E)-4-(2-azidoethyl)-16,18-dihydroxy-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(4R,6E,10E,12E)-8-butoxy-15-chloro-16,18-dihydroxy-4-methyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(6E,10E,12Z)-8-butoxy-15-chloro-16,18-dihydroxy-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(4R,6E,10E,12E)-8-butoxy-16,18-dihydroxy-4-methyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(6E,10E,12Z)-8-butoxy-16,18-dihydroxy-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;N-[2-[(6E,10E)-15-chloro-16,18-dihydroxy-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-4-yl]ethyl]acetamide has a molecular weight of 4780.69 g/mol, XLogP of 40.00, 56 rotatable bonds, 21 hydrogen bond donors, and 72 hydrogen bond acceptors.

Where does this data come from?

All data for (6E,10E)-4-(2-aminoethyl)-15-chloro-16,18-dihydroxy-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(6E,10E)-4-(2-aminoethyl)-16,18-dihydroxy-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(6E,10E)-4-(2-azidoethyl)-15-chloro-16,18-dihydroxy-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(6E,10E)-4-(2-azidoethyl)-16,18-dihydroxy-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(4R,6E,10E,12E)-8-butoxy-15-chloro-16,18-dihydroxy-4-methyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(6E,10E,12Z)-8-butoxy-15-chloro-16,18-dihydroxy-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(4R,6E,10E,12E)-8-butoxy-16,18-dihydroxy-4-methyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(6E,10E,12Z)-8-butoxy-16,18-dihydroxy-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;N-[2-[(6E,10E)-15-chloro-16,18-dihydroxy-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-4-yl]ethyl]acetamide is sourced from PubChem (CID 172986058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).