2-amino-3-[[(7E)-12-[(E)-8-(2,6-dioxopiperidin-4-yl)-7-hydroxy-4-methyl-5-oxooct-2-en-2-yl]-10-hydroxy-9-methoxy-11-methyl-2-oxo-1-oxacyclododec-7-en-4-yl]sulfanyl]propanoic acid;(2E,6E,11E)-18-(2,6-dioxopiperidin-4-yl)-9,13-dihydroxy-8-methoxy-12,14-dimethyl-15-oxooctadeca-2,6,11-trienoic acid;(2E,6E,12E)-18-(2,6-dioxopiperidin-4-yl)-9,11-dihydroxy-8-methoxy-10,12,14-trimethyl-15-oxooctadeca-2,6,12-trienoic acid;4-[(E)-7-[(6E,10E)-4-hydroxy-5-methoxy-3-methyl-12-oxo-1-oxacyclododeca-6,10-dien-2-yl]-5-methyl-4-oxooct-6-enyl]piperidine-2,6-dione;4-[(5S)-5-[(3Z,6S,7S,8E,12E)-6-hydroxy-7-methoxy-3-methyl-14-oxo-1-oxacyclotetradeca-3,8,12-trien-2-yl]-4-oxohexyl]piperidine-2,6-dione;4-[(E)-2-hydroxy-5-methyl-7-[(4Z,6E,10E)-3-methyl-12-oxo-1-oxacyclododeca-4,6,10-trien-2-yl]-4-oxooct-6-enyl]piperidine-2,6-dione

C162H237N7O46S — CID 158709899

About 2-amino-3-[[(7E)-12-[(E)-8-(2,6-dioxopiperidin-4-yl)-7-hydroxy-4-methyl-5-oxooct-2-en-2-yl]-10-hydroxy-9-methoxy-11-methyl-2-oxo-1-oxacyclododec-7-en-4-yl]sulfanyl]propanoic acid;(2E,6E,11E)-18-(2,6-dioxopiperidin-4-yl)-9,13-dihydroxy-8-methoxy-12,14-dimethyl-15-oxooctadeca-2,6,11-trienoic acid;(2E,6E,12E)-18-(2,6-dioxopiperidin-4-yl)-9,11-dihydroxy-8-methoxy-10,12,14-trimethyl-15-oxooctadeca-2,6,12-trienoic acid;4-[(E)-7-[(6E,10E)-4-hydroxy-5-methoxy-3-methyl-12-oxo-1-oxacyclododeca-6,10-dien-2-yl]-5-methyl-4-oxooct-6-enyl]piperidine-2,6-dione;4-[(5S)-5-[(3Z,6S,7S,8E,12E)-6-hydroxy-7-methoxy-3-methyl-14-oxo-1-oxacyclotetradeca-3,8,12-trien-2-yl]-4-oxohexyl]piperidine-2,6-dione;4-[(E)-2-hydroxy-5-methyl-7-[(4Z,6E,10E)-3-methyl-12-oxo-1-oxacyclododeca-4,6,10-trien-2-yl]-4-oxooct-6-enyl]piperidine-2,6-dione

2-amino-3-[[(7E)-12-[(E)-8-(2,6-dioxopiperidin-4-yl)-7-hydroxy-4-methyl-5-oxooct-2-en-2-yl]-10-hydroxy-9-methoxy-11-methyl-2-oxo-1-oxacyclododec-7-en-4-yl]sulfanyl]propanoic acid;(2E,6E,11E)-18-(2,6-dioxopiperidin-4-yl)-9,13-dihydroxy-8-methoxy-12,14-dimethyl-15-oxooctadeca-2,6,11-trienoic acid;(2E,6E,12E)-18-(2,6-dioxopiperidin-4-yl)-9,11-dihydroxy-8-methoxy-10,12,14-trimethyl-15-oxooctadeca-2,6,12-trienoic acid;4-[(E)-7-[(6E,10E)-4-hydroxy-5-methoxy-3-methyl-12-oxo-1-oxacyclododeca-6,10-dien-2-yl]-5-methyl-4-oxooct-6-enyl]piperidine-2,6-dione;4-[(5S)-5-[(3Z,6S,7S,8E,12E)-6-hydroxy-7-methoxy-3-methyl-14-oxo-1-oxacyclotetradeca-3,8,12-trien-2-yl]-4-oxohexyl]piperidine-2,6-dione;4-[(E)-2-hydroxy-5-methyl-7-[(4Z,6E,10E)-3-methyl-12-oxo-1-oxacyclododeca-4,6,10-trien-2-yl]-4-oxooct-6-enyl]piperidine-2,6-dione (PubChem CID 158709899) has the molecular formula C162H237N7O46S and a molecular weight of 3050.75 g/mol. Its IUPAC name is 2-amino-3-[[(7E)-12-[(E)-8-(2,6-dioxopiperidin-4-yl)-7-hydroxy-4-methyl-5-oxooct-2-en-2-yl]-10-hydroxy-9-methoxy-11-methyl-2-oxo-1-oxacyclododec-7-en-4-yl]sulfanyl]propanoic acid;(2E,6E,11E)-18-(2,6-dioxopiperidin-4-yl)-9,13-dihydroxy-8-methoxy-12,14-dimethyl-15-oxooctadeca-2,6,11-trienoic acid;(2E,6E,12E)-18-(2,6-dioxopiperidin-4-yl)-9,11-dihydroxy-8-methoxy-10,12,14-trimethyl-15-oxooctadeca-2,6,12-trienoic acid;4-[(E)-7-[(6E,10E)-4-hydroxy-5-methoxy-3-methyl-12-oxo-1-oxacyclododeca-6,10-dien-2-yl]-5-methyl-4-oxooct-6-enyl]piperidine-2,6-dione;4-[(5S)-5-[(3Z,6S,7S,8E,12E)-6-hydroxy-7-methoxy-3-methyl-14-oxo-1-oxacyclotetradeca-3,8,12-trien-2-yl]-4-oxohexyl]piperidine-2,6-dione;4-[(E)-2-hydroxy-5-methyl-7-[(4Z,6E,10E)-3-methyl-12-oxo-1-oxacyclododeca-4,6,10-trien-2-yl]-4-oxooct-6-enyl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: 2-amino-3-[[(7E)-12-[(E)-8-(2,6-dioxopiperidin-4-yl)-7-hydroxy-4-methyl-5-oxooct-2-en-2-yl]-10-hydroxy-9-methoxy-11-methyl-2-oxo-1-oxacyclododec-7-en-4-yl]sulfanyl]propanoic acid;(2E,6E,11E)-18-(2,6-dioxopiperidin-4-yl)-9,13-dihydroxy-8-methoxy-12,14-dimethyl-15-oxooctadeca-2,6,11-trienoic acid;(2E,6E,12E)-18-(2,6-dioxopiperidin-4-yl)-9,11-dihydroxy-8-methoxy-10,12,14-trimethyl-15-oxooctadeca-2,6,12-trienoic acid;4-[(E)-7-[(6E,10E)-4-hydroxy-5-methoxy-3-methyl-12-oxo-1-oxacyclododeca-6,10-dien-2-yl]-5-methyl-4-oxooct-6-enyl]piperidine-2,6-dione;4-[(5S)-5-[(3Z,6S,7S,8E,12E)-6-hydroxy-7-methoxy-3-methyl-14-oxo-1-oxacyclotetradeca-3,8,12-trien-2-yl]-4-oxohexyl]piperidine-2,6-dione;4-[(E)-2-hydroxy-5-methyl-7-[(4Z,6E,10E)-3-methyl-12-oxo-1-oxacyclododeca-4,6,10-trien-2-yl]-4-oxooct-6-enyl]piperidine-2,6-dione
• PubChem CID: 158709899
• Molecular Formula: C162H237N7O46S
• Molecular Weight: 3050.75 g/mol
• Exact Mass: 3048.61
• IUPAC Name: 2-amino-3-[[(7E)-12-[(E)-8-(2,6-dioxopiperidin-4-yl)-7-hydroxy-4-methyl-5-oxooct-2-en-2-yl]-10-hydroxy-9-methoxy-11-methyl-2-oxo-1-oxacyclododec-7-en-4-yl]sulfanyl]propanoic acid;(2E,6E,11E)-18-(2,6-dioxopiperidin-4-yl)-9,13-dihydroxy-8-methoxy-12,14-dimethyl-15-oxooctadeca-2,6,11-trienoic acid;(2E,6E,12E)-18-(2,6-dioxopiperidin-4-yl)-9,11-dihydroxy-8-methoxy-10,12,14-trimethyl-15-oxooctadeca-2,6,12-trienoic acid;4-[(E)-7-[(6E,10E)-4-hydroxy-5-methoxy-3-methyl-12-oxo-1-oxacyclododeca-6,10-dien-2-yl]-5-methyl-4-oxooct-6-enyl]piperidine-2,6-dione;4-[(5S)-5-[(3Z,6S,7S,8E,12E)-6-hydroxy-7-methoxy-3-methyl-14-oxo-1-oxacyclotetradeca-3,8,12-trien-2-yl]-4-oxohexyl]piperidine-2,6-dione;4-[(E)-2-hydroxy-5-methyl-7-[(4Z,6E,10E)-3-methyl-12-oxo-1-oxacyclododeca-4,6,10-trien-2-yl]-4-oxooct-6-enyl]piperidine-2,6-dione
• SMILES: C/C(=C\C(C)C(=O)CC(O)CC1CC(=O)NC(=O)C1)C1OC(=O)/C=C/CC/C=C/C=C\C1C.COC(/C=C/CC/C=C/C(=O)O)C(O)C(C)C(O)/C(C)=C/C(C)C(=O)CCCC1CC(=O)NC(=O)C1.COC(/C=C/CC/C=C/C(=O)O)C(O)C/C=C(\C)C(O)C(C)C(=O)CCCC1CC(=O)NC(=O)C1.COC1/C=C/CC/C=C/C(=O)OC(/C(C)=C/C(C)C(=O)CCCC2CC(=O)NC(=O)C2)C(C)C1O.COC1/C=C/CCC(SCC(N)C(=O)O)CC(=O)OC(/C(C)=C/C(C)C(=O)CC(O)CC2CC(=O)NC(=O)C2)C(C)C1O.CO[C@H]1/C=C/CC/C=C/C(=O)OC([C@H](C)C(=O)CCCC2CC(=O)NC(=O)C2)/C(C)=C\C[C@@H]1O
• InChI: InChI=1S/C30H46N2O10S.C27H41NO8.C27H39NO7.C26H39NO8.C26H37NO7.C26H35NO6/c1-16(23(34)13-20(33)10-19-11-25(35)32-26(36)12-19)9-17(2)29-18(3)28(38)24(41-4)8-6-5-7-21(14-27(37)42-29)43-15-22(31)30(39)40;1-17(21(29)11-9-10-20-15-23(30)28-24(31)16-20)14-18(2)26(34)19(3)27(35)22(36-4)12-7-5-6-8-13-25(32)33;1-17(21(29)11-9-10-20-15-23(30)28-24(31)16-20)14-18(2)27-19(3)26(33)22(34-4)12-7-5-6-8-13-25(32)35-27;1-17(13-14-21(29)22(35-3)11-6-4-5-7-12-25(32)33)26(34)18(2)20(28)10-8-9-19-15-23(30)27-24(31)16-19;1-17-13-14-21(29)22(33-3)11-6-4-5-7-12-25(32)34-26(17)18(2)20(28)10-8-9-19-15-23(30)27-24(31)16-19;1-17-10-8-6-4-5-7-9-11-25(32)33-26(17)19(3)12-18(2)22(29)16-21(28)13-20-14-23(30)27-24(31)15-20/h6,8-9,16,18-22,24,28-29,33,38H,5,7,10-15,31H2,1-4H3,(H,39,40)(H,32,35,36);7-8,12-14,17,19-20,22,26-27,34-35H,5-6,9-11,15-16H2,1-4H3,(H,32,33)(H,28,30,31);7-8,12-14,17,19-20,22,26-27,33H,5-6,9-11,15-16H2,1-4H3,(H,28,30,31);6-7,11-13,18-19,21-22,26,29,34H,4-5,8-10,14-16H2,1-3H3,(H,32,33)(H,27,30,31);6-7,11-13,18-19,21-22,26,29H,4-5,8-10,14-16H2,1-3H3,(H,27,30,31);4,6,8-12,17-18,20-21,26,28H,5,7,13-16H2,1-3H3,(H,27,30,31)/b8-6+,17-9+;2*12-7+,13-8+,18-14+;11-6+,12-7+,17-13+;11-6+,12-7+,17-13-;6-4+,10-8-,11-9+,19-12+/t;;;;18-,21+,22+,26?;/m....1./s1
• InChIKey: IIOXLTYDJBDSRG-AFKXLHIOSA-N
• XLogP: 16.16
• TPSA: 850.78 Ų
• H-Bond Donors: 19
• H-Bond Acceptors: 45
• Rotatable Bonds: 66
• Heavy Atoms: 216
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3050.75
LogP ≤ 5	16.16
H-Bond Donors ≤ 5	19
H-Bond Acceptors ≤ 10	45

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[[(7E)-12-[(E)-8-(2,6-dioxopiperidin-4-yl)-7-hydroxy-4-methyl-5-oxooct-2-en-2-yl]-10-hydroxy-9-methoxy-11-methyl-2-oxo-1-oxacyclododec-7-en-4-yl]sulfanyl]propanoic acid;(2E,6E,11E)-18-(2,6-dioxopiperidin-4-yl)-9,13-dihydroxy-8-methoxy-12,14-dimethyl-15-oxooctadeca-2,6,11-trienoic acid;(2E,6E,12E)-18-(2,6-dioxopiperidin-4-yl)-9,11-dihydroxy-8-methoxy-10,12,14-trimethyl-15-oxooctadeca-2,6,12-trienoic acid;4-[(E)-7-[(6E,10E)-4-hydroxy-5-methoxy-3-methyl-12-oxo-1-oxacyclododeca-6,10-dien-2-yl]-5-methyl-4-oxooct-6-enyl]piperidine-2,6-dione;4-[(5S)-5-[(3Z,6S,7S,8E,12E)-6-hydroxy-7-methoxy-3-methyl-14-oxo-1-oxacyclotetradeca-3,8,12-trien-2-yl]-4-oxohexyl]piperidine-2,6-dione;4-[(E)-2-hydroxy-5-methyl-7-[(4Z,6E,10E)-3-methyl-12-oxo-1-oxacyclododeca-4,6,10-trien-2-yl]-4-oxooct-6-enyl]piperidine-2,6-dione?

The IUPAC name of 2-amino-3-[[(7E)-12-[(E)-8-(2,6-dioxopiperidin-4-yl)-7-hydroxy-4-methyl-5-oxooct-2-en-2-yl]-10-hydroxy-9-methoxy-11-methyl-2-oxo-1-oxacyclododec-7-en-4-yl]sulfanyl]propanoic acid;(2E,6E,11E)-18-(2,6-dioxopiperidin-4-yl)-9,13-dihydroxy-8-methoxy-12,14-dimethyl-15-oxooctadeca-2,6,11-trienoic acid;(2E,6E,12E)-18-(2,6-dioxopiperidin-4-yl)-9,11-dihydroxy-8-methoxy-10,12,14-trimethyl-15-oxooctadeca-2,6,12-trienoic acid;4-[(E)-7-[(6E,10E)-4-hydroxy-5-methoxy-3-methyl-12-oxo-1-oxacyclododeca-6,10-dien-2-yl]-5-methyl-4-oxooct-6-enyl]piperidine-2,6-dione;4-[(5S)-5-[(3Z,6S,7S,8E,12E)-6-hydroxy-7-methoxy-3-methyl-14-oxo-1-oxacyclotetradeca-3,8,12-trien-2-yl]-4-oxohexyl]piperidine-2,6-dione;4-[(E)-2-hydroxy-5-methyl-7-[(4Z,6E,10E)-3-methyl-12-oxo-1-oxacyclododeca-4,6,10-trien-2-yl]-4-oxooct-6-enyl]piperidine-2,6-dione (CID 158709899) is 2-amino-3-[[(7E)-12-[(E)-8-(2,6-dioxopiperidin-4-yl)-7-hydroxy-4-methyl-5-oxooct-2-en-2-yl]-10-hydroxy-9-methoxy-11-methyl-2-oxo-1-oxacyclododec-7-en-4-yl]sulfanyl]propanoic acid;(2E,6E,11E)-18-(2,6-dioxopiperidin-4-yl)-9,13-dihydroxy-8-methoxy-12,14-dimethyl-15-oxooctadeca-2,6,11-trienoic acid;(2E,6E,12E)-18-(2,6-dioxopiperidin-4-yl)-9,11-dihydroxy-8-methoxy-10,12,14-trimethyl-15-oxooctadeca-2,6,12-trienoic acid;4-[(E)-7-[(6E,10E)-4-hydroxy-5-methoxy-3-methyl-12-oxo-1-oxacyclododeca-6,10-dien-2-yl]-5-methyl-4-oxooct-6-enyl]piperidine-2,6-dione;4-[(5S)-5-[(3Z,6S,7S,8E,12E)-6-hydroxy-7-methoxy-3-methyl-14-oxo-1-oxacyclotetradeca-3,8,12-trien-2-yl]-4-oxohexyl]piperidine-2,6-dione;4-[(E)-2-hydroxy-5-methyl-7-[(4Z,6E,10E)-3-methyl-12-oxo-1-oxacyclododeca-4,6,10-trien-2-yl]-4-oxooct-6-enyl]piperidine-2,6-dione.

What is the SMILES notation for 2-amino-3-[[(7E)-12-[(E)-8-(2,6-dioxopiperidin-4-yl)-7-hydroxy-4-methyl-5-oxooct-2-en-2-yl]-10-hydroxy-9-methoxy-11-methyl-2-oxo-1-oxacyclododec-7-en-4-yl]sulfanyl]propanoic acid;(2E,6E,11E)-18-(2,6-dioxopiperidin-4-yl)-9,13-dihydroxy-8-methoxy-12,14-dimethyl-15-oxooctadeca-2,6,11-trienoic acid;(2E,6E,12E)-18-(2,6-dioxopiperidin-4-yl)-9,11-dihydroxy-8-methoxy-10,12,14-trimethyl-15-oxooctadeca-2,6,12-trienoic acid;4-[(E)-7-[(6E,10E)-4-hydroxy-5-methoxy-3-methyl-12-oxo-1-oxacyclododeca-6,10-dien-2-yl]-5-methyl-4-oxooct-6-enyl]piperidine-2,6-dione;4-[(5S)-5-[(3Z,6S,7S,8E,12E)-6-hydroxy-7-methoxy-3-methyl-14-oxo-1-oxacyclotetradeca-3,8,12-trien-2-yl]-4-oxohexyl]piperidine-2,6-dione;4-[(E)-2-hydroxy-5-methyl-7-[(4Z,6E,10E)-3-methyl-12-oxo-1-oxacyclododeca-4,6,10-trien-2-yl]-4-oxooct-6-enyl]piperidine-2,6-dione?

The canonical SMILES for 2-amino-3-[[(7E)-12-[(E)-8-(2,6-dioxopiperidin-4-yl)-7-hydroxy-4-methyl-5-oxooct-2-en-2-yl]-10-hydroxy-9-methoxy-11-methyl-2-oxo-1-oxacyclododec-7-en-4-yl]sulfanyl]propanoic acid;(2E,6E,11E)-18-(2,6-dioxopiperidin-4-yl)-9,13-dihydroxy-8-methoxy-12,14-dimethyl-15-oxooctadeca-2,6,11-trienoic acid;(2E,6E,12E)-18-(2,6-dioxopiperidin-4-yl)-9,11-dihydroxy-8-methoxy-10,12,14-trimethyl-15-oxooctadeca-2,6,12-trienoic acid;4-[(E)-7-[(6E,10E)-4-hydroxy-5-methoxy-3-methyl-12-oxo-1-oxacyclododeca-6,10-dien-2-yl]-5-methyl-4-oxooct-6-enyl]piperidine-2,6-dione;4-[(5S)-5-[(3Z,6S,7S,8E,12E)-6-hydroxy-7-methoxy-3-methyl-14-oxo-1-oxacyclotetradeca-3,8,12-trien-2-yl]-4-oxohexyl]piperidine-2,6-dione;4-[(E)-2-hydroxy-5-methyl-7-[(4Z,6E,10E)-3-methyl-12-oxo-1-oxacyclododeca-4,6,10-trien-2-yl]-4-oxooct-6-enyl]piperidine-2,6-dione is C/C(=C\C(C)C(=O)CC(O)CC1CC(=O)NC(=O)C1)C1OC(=O)/C=C/CC/C=C/C=C\C1C.COC(/C=C/CC/C=C/C(=O)O)C(O)C(C)C(O)/C(C)=C/C(C)C(=O)CCCC1CC(=O)NC(=O)C1.COC(/C=C/CC/C=C/C(=O)O)C(O)C/C=C(\C)C(O)C(C)C(=O)CCCC1CC(=O)NC(=O)C1.COC1/C=C/CC/C=C/C(=O)OC(/C(C)=C/C(C)C(=O)CCCC2CC(=O)NC(=O)C2)C(C)C1O.COC1/C=C/CCC(SCC(N)C(=O)O)CC(=O)OC(/C(C)=C/C(C)C(=O)CC(O)CC2CC(=O)NC(=O)C2)C(C)C1O.CO[C@H]1/C=C/CC/C=C/C(=O)OC([C@H](C)C(=O)CCCC2CC(=O)NC(=O)C2)/C(C)=C\C[C@@H]1O.

What is the InChIKey of 2-amino-3-[[(7E)-12-[(E)-8-(2,6-dioxopiperidin-4-yl)-7-hydroxy-4-methyl-5-oxooct-2-en-2-yl]-10-hydroxy-9-methoxy-11-methyl-2-oxo-1-oxacyclododec-7-en-4-yl]sulfanyl]propanoic acid;(2E,6E,11E)-18-(2,6-dioxopiperidin-4-yl)-9,13-dihydroxy-8-methoxy-12,14-dimethyl-15-oxooctadeca-2,6,11-trienoic acid;(2E,6E,12E)-18-(2,6-dioxopiperidin-4-yl)-9,11-dihydroxy-8-methoxy-10,12,14-trimethyl-15-oxooctadeca-2,6,12-trienoic acid;4-[(E)-7-[(6E,10E)-4-hydroxy-5-methoxy-3-methyl-12-oxo-1-oxacyclododeca-6,10-dien-2-yl]-5-methyl-4-oxooct-6-enyl]piperidine-2,6-dione;4-[(5S)-5-[(3Z,6S,7S,8E,12E)-6-hydroxy-7-methoxy-3-methyl-14-oxo-1-oxacyclotetradeca-3,8,12-trien-2-yl]-4-oxohexyl]piperidine-2,6-dione;4-[(E)-2-hydroxy-5-methyl-7-[(4Z,6E,10E)-3-methyl-12-oxo-1-oxacyclododeca-4,6,10-trien-2-yl]-4-oxooct-6-enyl]piperidine-2,6-dione?

The InChIKey is IIOXLTYDJBDSRG-AFKXLHIOSA-N. The full InChI is InChI=1S/C30H46N2O10S.C27H41NO8.C27H39NO7.C26H39NO8.C26H37NO7.C26H35NO6/c1-16(23(34)13-20(33)10-19-11-25(35)32-26(36)12-19)9-17(2)29-18(3)28(38)24(41-4)8-6-5-7-21(14-27(37)42-29)43-15-22(31)30(39)40;1-17(21(29)11-9-10-20-15-23(30)28-24(31)16-20)14-18(2)26(34)19(3)27(35)22(36-4)12-7-5-6-8-13-25(32)33;1-17(21(29)11-9-10-20-15-23(30)28-24(31)16-20)14-18(2)27-19(3)26(33)22(34-4)12-7-5-6-8-13-25(32)35-27;1-17(13-14-21(29)22(35-3)11-6-4-5-7-12-25(32)33)26(34)18(2)20(28)10-8-9-19-15-23(30)27-24(31)16-19;1-17-13-14-21(29)22(33-3)11-6-4-5-7-12-25(32)34-26(17)18(2)20(28)10-8-9-19-15-23(30)27-24(31)16-19;1-17-10-8-6-4-5-7-9-11-25(32)33-26(17)19(3)12-18(2)22(29)16-21(28)13-20-14-23(30)27-24(31)15-20/h6,8-9,16,18-22,24,28-29,33,38H,5,7,10-15,31H2,1-4H3,(H,39,40)(H,32,35,36);7-8,12-14,17,19-20,22,26-27,34-35H,5-6,9-11,15-16H2,1-4H3,(H,32,33)(H,28,30,31);7-8,12-14,17,19-20,22,26-27,33H,5-6,9-11,15-16H2,1-4H3,(H,28,30,31);6-7,11-13,18-19,21-22,26,29,34H,4-5,8-10,14-16H2,1-3H3,(H,32,33)(H,27,30,31);6-7,11-13,18-19,21-22,26,29H,4-5,8-10,14-16H2,1-3H3,(H,27,30,31);4,6,8-12,17-18,20-21,26,28H,5,7,13-16H2,1-3H3,(H,27,30,31)/b8-6+,17-9+;2*12-7+,13-8+,18-14+;11-6+,12-7+,17-13+;11-6+,12-7+,17-13-;6-4+,10-8-,11-9+,19-12+/t;;;;18-,21+,22+,26?;/m....1./s1.

What are the key properties of 2-amino-3-[[(7E)-12-[(E)-8-(2,6-dioxopiperidin-4-yl)-7-hydroxy-4-methyl-5-oxooct-2-en-2-yl]-10-hydroxy-9-methoxy-11-methyl-2-oxo-1-oxacyclododec-7-en-4-yl]sulfanyl]propanoic acid;(2E,6E,11E)-18-(2,6-dioxopiperidin-4-yl)-9,13-dihydroxy-8-methoxy-12,14-dimethyl-15-oxooctadeca-2,6,11-trienoic acid;(2E,6E,12E)-18-(2,6-dioxopiperidin-4-yl)-9,11-dihydroxy-8-methoxy-10,12,14-trimethyl-15-oxooctadeca-2,6,12-trienoic acid;4-[(E)-7-[(6E,10E)-4-hydroxy-5-methoxy-3-methyl-12-oxo-1-oxacyclododeca-6,10-dien-2-yl]-5-methyl-4-oxooct-6-enyl]piperidine-2,6-dione;4-[(5S)-5-[(3Z,6S,7S,8E,12E)-6-hydroxy-7-methoxy-3-methyl-14-oxo-1-oxacyclotetradeca-3,8,12-trien-2-yl]-4-oxohexyl]piperidine-2,6-dione;4-[(E)-2-hydroxy-5-methyl-7-[(4Z,6E,10E)-3-methyl-12-oxo-1-oxacyclododeca-4,6,10-trien-2-yl]-4-oxooct-6-enyl]piperidine-2,6-dione?

2-amino-3-[[(7E)-12-[(E)-8-(2,6-dioxopiperidin-4-yl)-7-hydroxy-4-methyl-5-oxooct-2-en-2-yl]-10-hydroxy-9-methoxy-11-methyl-2-oxo-1-oxacyclododec-7-en-4-yl]sulfanyl]propanoic acid;(2E,6E,11E)-18-(2,6-dioxopiperidin-4-yl)-9,13-dihydroxy-8-methoxy-12,14-dimethyl-15-oxooctadeca-2,6,11-trienoic acid;(2E,6E,12E)-18-(2,6-dioxopiperidin-4-yl)-9,11-dihydroxy-8-methoxy-10,12,14-trimethyl-15-oxooctadeca-2,6,12-trienoic acid;4-[(E)-7-[(6E,10E)-4-hydroxy-5-methoxy-3-methyl-12-oxo-1-oxacyclododeca-6,10-dien-2-yl]-5-methyl-4-oxooct-6-enyl]piperidine-2,6-dione;4-[(5S)-5-[(3Z,6S,7S,8E,12E)-6-hydroxy-7-methoxy-3-methyl-14-oxo-1-oxacyclotetradeca-3,8,12-trien-2-yl]-4-oxohexyl]piperidine-2,6-dione;4-[(E)-2-hydroxy-5-methyl-7-[(4Z,6E,10E)-3-methyl-12-oxo-1-oxacyclododeca-4,6,10-trien-2-yl]-4-oxooct-6-enyl]piperidine-2,6-dione has a molecular weight of 3050.75 g/mol, XLogP of 16.16, 66 rotatable bonds, 19 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-3-[[(7E)-12-[(E)-8-(2,6-dioxopiperidin-4-yl)-7-hydroxy-4-methyl-5-oxooct-2-en-2-yl]-10-hydroxy-9-methoxy-11-methyl-2-oxo-1-oxacyclododec-7-en-4-yl]sulfanyl]propanoic acid;(2E,6E,11E)-18-(2,6-dioxopiperidin-4-yl)-9,13-dihydroxy-8-methoxy-12,14-dimethyl-15-oxooctadeca-2,6,11-trienoic acid;(2E,6E,12E)-18-(2,6-dioxopiperidin-4-yl)-9,11-dihydroxy-8-methoxy-10,12,14-trimethyl-15-oxooctadeca-2,6,12-trienoic acid;4-[(E)-7-[(6E,10E)-4-hydroxy-5-methoxy-3-methyl-12-oxo-1-oxacyclododeca-6,10-dien-2-yl]-5-methyl-4-oxooct-6-enyl]piperidine-2,6-dione;4-[(5S)-5-[(3Z,6S,7S,8E,12E)-6-hydroxy-7-methoxy-3-methyl-14-oxo-1-oxacyclotetradeca-3,8,12-trien-2-yl]-4-oxohexyl]piperidine-2,6-dione;4-[(E)-2-hydroxy-5-methyl-7-[(4Z,6E,10E)-3-methyl-12-oxo-1-oxacyclododeca-4,6,10-trien-2-yl]-4-oxooct-6-enyl]piperidine-2,6-dione is sourced from PubChem (CID 158709899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).