bis((4R,6E,8R,10E)-16,18-bis(ethoxymethoxy)-4,8-dimethyl-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,8S,10E)-16,18-bis(ethoxymethoxy)-4,8-dimethyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;N-[(4R,6E,8R,10E)-16,18-bis(ethoxymethoxy)-4-methyl-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-8-yl]propanamide;[(4R,6E,8S,10E)-16,18-bis(ethoxymethoxy)-4-methyl-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-8-yl] propanoate;2-[(2R,3R,5R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]sulfanyl-N-[(4R,6E,8R,10E)-16,18-dihydroxy-4-methyl-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-8-yl]acetamide

C198H282N14O54S — CID 162017529

IUPACbis((4R,6E,8R,10E)-16,18-bis(ethoxymethoxy)-4,8-dimethyl-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,8S,10E)-16,18-bis(ethoxymethoxy)-4,8-dimethyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;N-[(4R,6E,8R,10E)-16,18-bis(ethoxymethoxy)-4-methyl-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-8-yl]propanamide;[(4R,6E,8S,10E)-16,18-bis(ethoxymethoxy)-4-methyl-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-8-yl] propanoate;2-[(2R,3R,5R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]sulfanyl-N-[(4R,6E,8R,10E)-16,18-dihydroxy-4-methyl-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-8-yl]acetamide
SMILESCCOCOc1cc2c(c(OCOCC)c1)C(=O)O[C@H](C)C/C=C/[C@@H](C)C/C=C/C(=NOCC(=O)N1CCCCC1)C2.CCOCOc1cc2c(c(OCOCC)c1)C(=O)O[C@H](C)C/C=C/[C@@H](OC(=O)CC)C/C=C/C(=NOCC(=O)N1CCCCC1)C2.CCOCOc1cc2c(c(OCOCC)c1)C(=O)O[C@H](C)C/C=C/[C@H](C)C/C=C/C(=NOCC(=O)N1CCCCC1)C2.CCOCOc1cc2c(c(OCOCC)c1)C(=O)O[C@H](C)C/C=C/[C@H](C)C/C=C/C(=NOCC(=O)N1CCCCC1)C2.CCOCOc1cc2c(c(OCOCC)c1)C(=O)O[C@H](C)C/C=C/[C@H](NC(=O)CC)C/C=C/C(=NOCC(=O)N1CCCCC1)C2.C[C@H]1C(CO)O[C@H](SCC(=O)N[C@H]2/C=C/C[C@@H](C)OC(=O)c3c(O)cc(O)cc3CC(=NOCC(=O)N3CCCCC3)/C=C/C2)[C@H](O)C1O
InChIInChI=1S/C34H47N3O11S.C34H49N3O9.C34H48N2O10.3C32H46N2O8/c1-20-8-6-9-23(35-28(41)19-49-34-32(44)31(43)21(2)27(17-38)48-34)10-7-11-24(36-46-18-29(42)37-12-4-3-5-13-37)14-22-15-25(39)16-26(40)30(22)33(45)47-20;1-5-31(38)35-27-14-11-13-25(4)46-34(40)33-26(20-29(43-23-41-6-2)21-30(33)44-24-42-7-3)19-28(16-12-15-27)36-45-22-32(39)37-17-9-8-10-18-37;1-5-32(38)46-28-15-11-13-25(4)45-34(39)33-26(20-29(42-23-40-6-2)21-30(33)43-24-41-7-3)19-27(14-12-16-28)35-44-22-31(37)36-17-9-8-10-18-36;3*1-5-37-22-39-28-19-26-18-27(33-41-21-30(35)34-16-8-7-9-17-34)15-11-13-24(3)12-10-14-25(4)42-32(36)31(26)29(20-28)40-23-38-6-2/h6-7,9,11,15-16,20-21,23,27,31-32,34,38-40,43-44H,3-5,8,10,12-14,17-19H2,1-2H3,(H,35,41);11-12,14,16,20-21,25,27H,5-10,13,15,17-19,22-24H2,1-4H3,(H,35,38);11-12,14-15,20-21,25,28H,5-10,13,16-19,22-24H2,1-4H3;3*10-12,15,19-20,24-25H,5-9,13-14,16-18,21-23H2,1-4H3/b9-6+,11-7+,36-24?;14-11+,16-12+,36-28?;14-12+,15-11+,35-27?;3*12-10+,15-11+,33-27?/t20-,21+,23+,27?,31?,32-,34-;25-,27+;25-,28-;2*24-,25+;24-,25-/m111001/s1
InChIKeyYUHRPHHLOVAOJA-VWMXEUBDSA-N
MW3754.54 g/mol
LogP27.95
Rot. Bonds67

About bis((4R,6E,8R,10E)-16,18-bis(ethoxymethoxy)-4,8-dimethyl-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,8S,10E)-16,18-bis(ethoxymethoxy)-4,8-dimethyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;N-[(4R,6E,8R,10E)-16,18-bis(ethoxymethoxy)-4-methyl-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-8-yl]propanamide;[(4R,6E,8S,10E)-16,18-bis(ethoxymethoxy)-4-methyl-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-8-yl] propanoate;2-[(2R,3R,5R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]sulfanyl-N-[(4R,6E,8R,10E)-16,18-dihydroxy-4-methyl-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-8-yl]acetamide

bis((4R,6E,8R,10E)-16,18-bis(ethoxymethoxy)-4,8-dimethyl-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,8S,10E)-16,18-bis(ethoxymethoxy)-4,8-dimethyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;N-[(4R,6E,8R,10E)-16,18-bis(ethoxymethoxy)-4-methyl-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-8-yl]propanamide;[(4R,6E,8S,10E)-16,18-bis(ethoxymethoxy)-4-methyl-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-8-yl] propanoate;2-[(2R,3R,5R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]sulfanyl-N-[(4R,6E,8R,10E)-16,18-dihydroxy-4-methyl-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-8-yl]acetamide (PubChem CID 162017529) has the molecular formula C198H282N14O54S and a molecular weight of 3754.54 g/mol. Its IUPAC name is bis((4R,6E,8R,10E)-16,18-bis(ethoxymethoxy)-4,8-dimethyl-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,8S,10E)-16,18-bis(ethoxymethoxy)-4,8-dimethyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;N-[(4R,6E,8R,10E)-16,18-bis(ethoxymethoxy)-4-methyl-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-8-yl]propanamide;[(4R,6E,8S,10E)-16,18-bis(ethoxymethoxy)-4-methyl-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-8-yl] propanoate;2-[(2R,3R,5R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]sulfanyl-N-[(4R,6E,8R,10E)-16,18-dihydroxy-4-methyl-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-8-yl]acetamide.

Molecular Properties

Compound Namebis((4R,6E,8R,10E)-16,18-bis(ethoxymethoxy)-4,8-dimethyl-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,8S,10E)-16,18-bis(ethoxymethoxy)-4,8-dimethyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;N-[(4R,6E,8R,10E)-16,18-bis(ethoxymethoxy)-4-methyl-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-8-yl]propanamide;[(4R,6E,8S,10E)-16,18-bis(ethoxymethoxy)-4-methyl-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-8-yl] propanoate;2-[(2R,3R,5R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]sulfanyl-N-[(4R,6E,8R,10E)-16,18-dihydroxy-4-methyl-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-8-yl]acetamide
PubChem CID162017529
Molecular FormulaC198H282N14O54S
Molecular Weight3754.54 g/mol
Exact Mass3751.95
IUPAC Namebis((4R,6E,8R,10E)-16,18-bis(ethoxymethoxy)-4,8-dimethyl-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,8S,10E)-16,18-bis(ethoxymethoxy)-4,8-dimethyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;N-[(4R,6E,8R,10E)-16,18-bis(ethoxymethoxy)-4-methyl-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-8-yl]propanamide;[(4R,6E,8S,10E)-16,18-bis(ethoxymethoxy)-4-methyl-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-8-yl] propanoate;2-[(2R,3R,5R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]sulfanyl-N-[(4R,6E,8R,10E)-16,18-dihydroxy-4-methyl-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-8-yl]acetamide
SMILESCCOCOc1cc2c(c(OCOCC)c1)C(=O)O[C@H](C)C/C=C/[C@@H](C)C/C=C/C(=NOCC(=O)N1CCCCC1)C2.CCOCOc1cc2c(c(OCOCC)c1)C(=O)O[C@H](C)C/C=C/[C@@H](OC(=O)CC)C/C=C/C(=NOCC(=O)N1CCCCC1)C2.CCOCOc1cc2c(c(OCOCC)c1)C(=O)O[C@H](C)C/C=C/[C@H](C)C/C=C/C(=NOCC(=O)N1CCCCC1)C2.CCOCOc1cc2c(c(OCOCC)c1)C(=O)O[C@H](C)C/C=C/[C@H](C)C/C=C/C(=NOCC(=O)N1CCCCC1)C2.CCOCOc1cc2c(c(OCOCC)c1)C(=O)O[C@H](C)C/C=C/[C@H](NC(=O)CC)C/C=C/C(=NOCC(=O)N1CCCCC1)C2.C[C@H]1C(CO)O[C@H](SCC(=O)N[C@H]2/C=C/C[C@@H](C)OC(=O)c3c(O)cc(O)cc3CC(=NOCC(=O)N3CCCCC3)/C=C/C2)[C@H](O)C1O
InChIInChI=1S/C34H47N3O11S.C34H49N3O9.C34H48N2O10.3C32H46N2O8/c1-20-8-6-9-23(35-28(41)19-49-34-32(44)31(43)21(2)27(17-38)48-34)10-7-11-24(36-46-18-29(42)37-12-4-3-5-13-37)14-22-15-25(39)16-26(40)30(22)33(45)47-20;1-5-31(38)35-27-14-11-13-25(4)46-34(40)33-26(20-29(43-23-41-6-2)21-30(33)44-24-42-7-3)19-28(16-12-15-27)36-45-22-32(39)37-17-9-8-10-18-37;1-5-32(38)46-28-15-11-13-25(4)45-34(39)33-26(20-29(42-23-40-6-2)21-30(33)43-24-41-7-3)19-27(14-12-16-28)35-44-22-31(37)36-17-9-8-10-18-36;3*1-5-37-22-39-28-19-26-18-27(33-41-21-30(35)34-16-8-7-9-17-34)15-11-13-24(3)12-10-14-25(4)42-32(36)31(26)29(20-28)40-23-38-6-2/h6-7,9,11,15-16,20-21,23,27,31-32,34,38-40,43-44H,3-5,8,10,12-14,17-19H2,1-2H3,(H,35,41);11-12,14,16,20-21,25,27H,5-10,13,15,17-19,22-24H2,1-4H3,(H,35,38);11-12,14-15,20-21,25,28H,5-10,13,16-19,22-24H2,1-4H3;3*10-12,15,19-20,24-25H,5-9,13-14,16-18,21-23H2,1-4H3/b9-6+,11-7+,36-24?;14-11+,16-12+,36-28?;14-12+,15-11+,35-27?;3*12-10+,15-11+,33-27?/t20-,21+,23+,27?,31?,32-,34-;25-,27+;25-,28-;2*24-,25+;24-,25-/m111001/s1
InChIKeyYUHRPHHLOVAOJA-VWMXEUBDSA-N
XLogP27.95
TPSA788.68 Ų
H-Bond Donors7
H-Bond Acceptors61
Rotatable Bonds67
Heavy Atoms267
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003754.54
LogP ≤ 527.95
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1061

Analyze bis((4R,6E,8R,10E)-16,18-bis(ethoxymethoxy)-4,8-dimethyl-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,8S,10E)-16,18-bis(ethoxymethoxy)-4,8-dimethyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;N-[(4R,6E,8R,10E)-16,18-bis(ethoxymethoxy)-4-methyl-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-8-yl]propanamide;[(4R,6E,8S,10E)-16,18-bis(ethoxymethoxy)-4-methyl-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-8-yl] propanoate;2-[(2R,3R,5R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]sulfanyl-N-[(4R,6E,8R,10E)-16,18-dihydroxy-4-methyl-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-8-yl]acetamide with MolForge

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Launch Full Analysis

Related Compounds

N-[(4R,6E,8S,10E,12Z)-16,18-dihydroxy-4-methyl-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-8-yl]-2-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylacetamide
CID 56970046
N-[(4R,6E,8R,10E,12E)-16,18-bis(ethoxymethoxy)-4-methyl-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-8-yl]-2-chloroacetamide
CID 88570210
[(4R,6E,8S,10E,12Z)-16,18-bis(ethoxymethoxy)-4-methyl-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-8-yl] 2-chloroacetate
CID 56970270
(4R,8R)-16,18-bis(ethoxymethoxy)-8-hydroxy-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
CID 123889186
(4R,6E,10E,12E)-16,18-dihydroxy-4,8-dimethyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one
CID 58421958
(4R)-8-(3-aminopropoxy)-16,18-bis(ethoxymethoxy)-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
CID 123776518
[(4R,6E,8R,10E,12E)-18-hydroxy-4,8-dimethyl-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-16-yl]oxymethylphosphonic acid
CID 58373240
methyl 2-[[(4R,8S)-16,18-dihydroxy-4-methyl-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-8-yl]oxy]acetate
CID 91407949
N-[(4R,6E,8S,10E,12Z)-16,18-dihydroxy-4-methyl-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-8-yl]-2-[(1S)-1-[(3S)-1,3,4,5-tetrahydroxypentan-2-yl]oxyethyl]sulfanylacetamide
CID 87683046
(4R,8R)-8,16,18-trihydroxy-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
CID 123824551
[(4R,6E,8R,10E,12Z)-18-hydroxy-4,8-dimethyl-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-16-yl] dihydrogen phosphate
CID 123246164
CID 172954528
CID 172954528

Frequently Asked Questions

What is the IUPAC name of bis((4R,6E,8R,10E)-16,18-bis(ethoxymethoxy)-4,8-dimethyl-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,8S,10E)-16,18-bis(ethoxymethoxy)-4,8-dimethyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;N-[(4R,6E,8R,10E)-16,18-bis(ethoxymethoxy)-4-methyl-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-8-yl]propanamide;[(4R,6E,8S,10E)-16,18-bis(ethoxymethoxy)-4-methyl-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-8-yl] propanoate;2-[(2R,3R,5R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]sulfanyl-N-[(4R,6E,8R,10E)-16,18-dihydroxy-4-methyl-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-8-yl]acetamide?
The IUPAC name of bis((4R,6E,8R,10E)-16,18-bis(ethoxymethoxy)-4,8-dimethyl-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,8S,10E)-16,18-bis(ethoxymethoxy)-4,8-dimethyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;N-[(4R,6E,8R,10E)-16,18-bis(ethoxymethoxy)-4-methyl-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-8-yl]propanamide;[(4R,6E,8S,10E)-16,18-bis(ethoxymethoxy)-4-methyl-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-8-yl] propanoate;2-[(2R,3R,5R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]sulfanyl-N-[(4R,6E,8R,10E)-16,18-dihydroxy-4-methyl-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-8-yl]acetamide (CID 162017529) is bis((4R,6E,8R,10E)-16,18-bis(ethoxymethoxy)-4,8-dimethyl-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,8S,10E)-16,18-bis(ethoxymethoxy)-4,8-dimethyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;N-[(4R,6E,8R,10E)-16,18-bis(ethoxymethoxy)-4-methyl-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-8-yl]propanamide;[(4R,6E,8S,10E)-16,18-bis(ethoxymethoxy)-4-methyl-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-8-yl] propanoate;2-[(2R,3R,5R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]sulfanyl-N-[(4R,6E,8R,10E)-16,18-dihydroxy-4-methyl-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-8-yl]acetamide.
What is the SMILES notation for bis((4R,6E,8R,10E)-16,18-bis(ethoxymethoxy)-4,8-dimethyl-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,8S,10E)-16,18-bis(ethoxymethoxy)-4,8-dimethyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;N-[(4R,6E,8R,10E)-16,18-bis(ethoxymethoxy)-4-methyl-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-8-yl]propanamide;[(4R,6E,8S,10E)-16,18-bis(ethoxymethoxy)-4-methyl-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-8-yl] propanoate;2-[(2R,3R,5R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]sulfanyl-N-[(4R,6E,8R,10E)-16,18-dihydroxy-4-methyl-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-8-yl]acetamide?
The canonical SMILES for bis((4R,6E,8R,10E)-16,18-bis(ethoxymethoxy)-4,8-dimethyl-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,8S,10E)-16,18-bis(ethoxymethoxy)-4,8-dimethyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;N-[(4R,6E,8R,10E)-16,18-bis(ethoxymethoxy)-4-methyl-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-8-yl]propanamide;[(4R,6E,8S,10E)-16,18-bis(ethoxymethoxy)-4-methyl-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-8-yl] propanoate;2-[(2R,3R,5R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]sulfanyl-N-[(4R,6E,8R,10E)-16,18-dihydroxy-4-methyl-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-8-yl]acetamide is CCOCOc1cc2c(c(OCOCC)c1)C(=O)O[C@H](C)C/C=C/[C@@H](C)C/C=C/C(=NOCC(=O)N1CCCCC1)C2.CCOCOc1cc2c(c(OCOCC)c1)C(=O)O[C@H](C)C/C=C/[C@@H](OC(=O)CC)C/C=C/C(=NOCC(=O)N1CCCCC1)C2.CCOCOc1cc2c(c(OCOCC)c1)C(=O)O[C@H](C)C/C=C/[C@H](C)C/C=C/C(=NOCC(=O)N1CCCCC1)C2.CCOCOc1cc2c(c(OCOCC)c1)C(=O)O[C@H](C)C/C=C/[C@H](C)C/C=C/C(=NOCC(=O)N1CCCCC1)C2.CCOCOc1cc2c(c(OCOCC)c1)C(=O)O[C@H](C)C/C=C/[C@H](NC(=O)CC)C/C=C/C(=NOCC(=O)N1CCCCC1)C2.C[C@H]1C(CO)O[C@H](SCC(=O)N[C@H]2/C=C/C[C@@H](C)OC(=O)c3c(O)cc(O)cc3CC(=NOCC(=O)N3CCCCC3)/C=C/C2)[C@H](O)C1O.
What is the InChIKey of bis((4R,6E,8R,10E)-16,18-bis(ethoxymethoxy)-4,8-dimethyl-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,8S,10E)-16,18-bis(ethoxymethoxy)-4,8-dimethyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;N-[(4R,6E,8R,10E)-16,18-bis(ethoxymethoxy)-4-methyl-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-8-yl]propanamide;[(4R,6E,8S,10E)-16,18-bis(ethoxymethoxy)-4-methyl-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-8-yl] propanoate;2-[(2R,3R,5R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]sulfanyl-N-[(4R,6E,8R,10E)-16,18-dihydroxy-4-methyl-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-8-yl]acetamide?
The InChIKey is YUHRPHHLOVAOJA-VWMXEUBDSA-N. The full InChI is InChI=1S/C34H47N3O11S.C34H49N3O9.C34H48N2O10.3C32H46N2O8/c1-20-8-6-9-23(35-28(41)19-49-34-32(44)31(43)21(2)27(17-38)48-34)10-7-11-24(36-46-18-29(42)37-12-4-3-5-13-37)14-22-15-25(39)16-26(40)30(22)33(45)47-20;1-5-31(38)35-27-14-11-13-25(4)46-34(40)33-26(20-29(43-23-41-6-2)21-30(33)44-24-42-7-3)19-28(16-12-15-27)36-45-22-32(39)37-17-9-8-10-18-37;1-5-32(38)46-28-15-11-13-25(4)45-34(39)33-26(20-29(42-23-40-6-2)21-30(33)43-24-41-7-3)19-27(14-12-16-28)35-44-22-31(37)36-17-9-8-10-18-36;3*1-5-37-22-39-28-19-26-18-27(33-41-21-30(35)34-16-8-7-9-17-34)15-11-13-24(3)12-10-14-25(4)42-32(36)31(26)29(20-28)40-23-38-6-2/h6-7,9,11,15-16,20-21,23,27,31-32,34,38-40,43-44H,3-5,8,10,12-14,17-19H2,1-2H3,(H,35,41);11-12,14,16,20-21,25,27H,5-10,13,15,17-19,22-24H2,1-4H3,(H,35,38);11-12,14-15,20-21,25,28H,5-10,13,16-19,22-24H2,1-4H3;3*10-12,15,19-20,24-25H,5-9,13-14,16-18,21-23H2,1-4H3/b9-6+,11-7+,36-24?;14-11+,16-12+,36-28?;14-12+,15-11+,35-27?;3*12-10+,15-11+,33-27?/t20-,21+,23+,27?,31?,32-,34-;25-,27+;25-,28-;2*24-,25+;24-,25-/m111001/s1.
What are the key properties of bis((4R,6E,8R,10E)-16,18-bis(ethoxymethoxy)-4,8-dimethyl-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,8S,10E)-16,18-bis(ethoxymethoxy)-4,8-dimethyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;N-[(4R,6E,8R,10E)-16,18-bis(ethoxymethoxy)-4-methyl-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-8-yl]propanamide;[(4R,6E,8S,10E)-16,18-bis(ethoxymethoxy)-4-methyl-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-8-yl] propanoate;2-[(2R,3R,5R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]sulfanyl-N-[(4R,6E,8R,10E)-16,18-dihydroxy-4-methyl-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-8-yl]acetamide?
bis((4R,6E,8R,10E)-16,18-bis(ethoxymethoxy)-4,8-dimethyl-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,8S,10E)-16,18-bis(ethoxymethoxy)-4,8-dimethyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;N-[(4R,6E,8R,10E)-16,18-bis(ethoxymethoxy)-4-methyl-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-8-yl]propanamide;[(4R,6E,8S,10E)-16,18-bis(ethoxymethoxy)-4-methyl-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-8-yl] propanoate;2-[(2R,3R,5R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]sulfanyl-N-[(4R,6E,8R,10E)-16,18-dihydroxy-4-methyl-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-8-yl]acetamide has a molecular weight of 3754.54 g/mol, XLogP of 27.95, 67 rotatable bonds, 7 hydrogen bond donors, and 61 hydrogen bond acceptors.
Where does this data come from?
All data for bis((4R,6E,8R,10E)-16,18-bis(ethoxymethoxy)-4,8-dimethyl-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,8S,10E)-16,18-bis(ethoxymethoxy)-4,8-dimethyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;N-[(4R,6E,8R,10E)-16,18-bis(ethoxymethoxy)-4-methyl-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-8-yl]propanamide;[(4R,6E,8S,10E)-16,18-bis(ethoxymethoxy)-4-methyl-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-8-yl] propanoate;2-[(2R,3R,5R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]sulfanyl-N-[(4R,6E,8R,10E)-16,18-dihydroxy-4-methyl-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-8-yl]acetamide is sourced from PubChem (CID 162017529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).