(3'R,4S,6'R,7'S,8'E,11'R,12'S)-7-chloro-12'-(cyclobutylmethyl)-7'-hydroxy-11'-methyl-13'-methylidene-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one;(3'R,4S,6'R,7'S,8'E,11'S,12'S)-7-chloro-12'-(cyclobutylmethyl)-7'-hydroxy-11'-methyl-13'-methylidene-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one;(3'R,4S,6'R,7'S,8'Z,11'R,12'S)-7-chloro-12'-(cyclopropylmethyl)-7'-hydroxy-11'-methyl-13',13'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one;(3'R,4S,6'R,7'S,8'E,11'S,12'R)-7-chloro-12'-(cyclopropylmethyl)-7'-methoxy-11'-methyl-13',13'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one

C145H182Cl4N8O18S4 — CID 158837971

About (3'R,4S,6'R,7'S,8'E,11'R,12'S)-7-chloro-12'-(cyclobutylmethyl)-7'-hydroxy-11'-methyl-13'-methylidene-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one;(3'R,4S,6'R,7'S,8'E,11'S,12'S)-7-chloro-12'-(cyclobutylmethyl)-7'-hydroxy-11'-methyl-13'-methylidene-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one;(3'R,4S,6'R,7'S,8'Z,11'R,12'S)-7-chloro-12'-(cyclopropylmethyl)-7'-hydroxy-11'-methyl-13',13'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one;(3'R,4S,6'R,7'S,8'E,11'S,12'R)-7-chloro-12'-(cyclopropylmethyl)-7'-methoxy-11'-methyl-13',13'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one

(3'R,4S,6'R,7'S,8'E,11'R,12'S)-7-chloro-12'-(cyclobutylmethyl)-7'-hydroxy-11'-methyl-13'-methylidene-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one;(3'R,4S,6'R,7'S,8'E,11'S,12'S)-7-chloro-12'-(cyclobutylmethyl)-7'-hydroxy-11'-methyl-13'-methylidene-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one;(3'R,4S,6'R,7'S,8'Z,11'R,12'S)-7-chloro-12'-(cyclopropylmethyl)-7'-hydroxy-11'-methyl-13',13'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one;(3'R,4S,6'R,7'S,8'E,11'S,12'R)-7-chloro-12'-(cyclopropylmethyl)-7'-methoxy-11'-methyl-13',13'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one (PubChem CID 158837971) has the molecular formula C145H182Cl4N8O18S4 and a molecular weight of 2595.17 g/mol. Its IUPAC name is (3'R,4S,6'R,7'S,8'E,11'R,12'S)-7-chloro-12'-(cyclobutylmethyl)-7'-hydroxy-11'-methyl-13'-methylidene-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one;(3'R,4S,6'R,7'S,8'E,11'S,12'S)-7-chloro-12'-(cyclobutylmethyl)-7'-hydroxy-11'-methyl-13'-methylidene-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one;(3'R,4S,6'R,7'S,8'Z,11'R,12'S)-7-chloro-12'-(cyclopropylmethyl)-7'-hydroxy-11'-methyl-13',13'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one;(3'R,4S,6'R,7'S,8'E,11'S,12'R)-7-chloro-12'-(cyclopropylmethyl)-7'-methoxy-11'-methyl-13',13'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one.

Molecular Properties

• Compound Name: (3'R,4S,6'R,7'S,8'E,11'R,12'S)-7-chloro-12'-(cyclobutylmethyl)-7'-hydroxy-11'-methyl-13'-methylidene-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one;(3'R,4S,6'R,7'S,8'E,11'S,12'S)-7-chloro-12'-(cyclobutylmethyl)-7'-hydroxy-11'-methyl-13'-methylidene-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one;(3'R,4S,6'R,7'S,8'Z,11'R,12'S)-7-chloro-12'-(cyclopropylmethyl)-7'-hydroxy-11'-methyl-13',13'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one;(3'R,4S,6'R,7'S,8'E,11'S,12'R)-7-chloro-12'-(cyclopropylmethyl)-7'-methoxy-11'-methyl-13',13'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one
• PubChem CID: 158837971
• Molecular Formula: C145H182Cl4N8O18S4
• Molecular Weight: 2595.17 g/mol
• Exact Mass: 2591.12
• IUPAC Name: (3'R,4S,6'R,7'S,8'E,11'R,12'S)-7-chloro-12'-(cyclobutylmethyl)-7'-hydroxy-11'-methyl-13'-methylidene-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one;(3'R,4S,6'R,7'S,8'E,11'S,12'S)-7-chloro-12'-(cyclobutylmethyl)-7'-hydroxy-11'-methyl-13'-methylidene-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one;(3'R,4S,6'R,7'S,8'Z,11'R,12'S)-7-chloro-12'-(cyclopropylmethyl)-7'-hydroxy-11'-methyl-13',13'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one;(3'R,4S,6'R,7'S,8'E,11'S,12'R)-7-chloro-12'-(cyclopropylmethyl)-7'-methoxy-11'-methyl-13',13'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one
• SMILES: C=S1(=O)NC(=O)c2ccc3c(c2)N(C[C@@H]2CC[C@H]2[C@@H](O)/C=C/C[C@@H](C)[C@@H]1CC1CCC1)C[C@@]1(CCCc2cc(Cl)ccc21)CO3.C=S1(=O)NC(=O)c2ccc3c(c2)N(C[C@@H]2CC[C@H]2[C@@H](O)/C=C/C[C@H](C)[C@@H]1CC1CCC1)C[C@@]1(CCCc2cc(Cl)ccc21)CO3.CO[C@H]1/C=C/C[C@H](C)[C@@H](CC2CC2)S(=O)(=O)NC(=O)c2ccc3c(c2)N(C[C@@H]2CC[C@H]21)C[C@@]1(CCCc2cc(Cl)ccc21)CO3.C[C@@H]1C/C=C\[C@H](O)[C@@H]2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc43)COc3ccc(cc32)C(=O)NS(=O)(=O)[C@H]1CC1CC1
• InChI: InChI=1S/2C37H47ClN2O4S.C36H45ClN2O5S.C35H43ClN2O5S/c2*1-24-6-3-10-33(41)30-14-11-28(30)21-40-22-37(17-5-9-26-19-29(38)13-15-31(26)37)23-44-34-16-12-27(20-32(34)40)36(42)39-45(2,43)35(24)18-25-7-4-8-25;1-23-5-3-7-32(43-2)29-13-10-27(29)20-39-21-36(16-4-6-25-18-28(37)12-14-30(25)36)22-44-33-15-11-26(19-31(33)39)35(40)38-45(41,42)34(23)17-24-8-9-24;1-22-4-2-6-31(39)28-12-9-26(28)19-38-20-35(15-3-5-24-17-27(36)11-13-29(24)35)21-43-32-14-10-25(18-30(32)38)34(40)37-44(41,42)33(22)16-23-7-8-23/h2*3,10,12-13,15-16,19-20,24-25,28,30,33,35,41H,2,4-9,11,14,17-18,21-23H2,1H3,(H,39,42,43);3,7,11-12,14-15,18-19,23-24,27,29,32,34H,4-6,8-10,13,16-17,20-22H2,1-2H3,(H,38,40);2,6,10-11,13-14,17-18,22-23,26,28,31,33,39H,3-5,7-9,12,15-16,19-21H2,1H3,(H,37,40)/b2*10-3+;7-3+;6-2-/t24-,28+,30-,33+,35+,37+,45?;24-,28-,30+,33-,35-,37-,45?;23-,27-,29+,32-,34+,36-;22-,26+,28-,31+,33+,35+/m1001/s1
• InChIKey: IXWKMEDIQNTODW-HQYFPKNZSA-N
• XLogP: 26.14
• TPSA: 338.62 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 22
• Rotatable Bonds: 9
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2595.17
LogP ≤ 5	26.14
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3'R,4S,6'R,7'S,8'E,11'R,12'S)-7-chloro-12'-(cyclobutylmethyl)-7'-hydroxy-11'-methyl-13'-methylidene-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one;(3'R,4S,6'R,7'S,8'E,11'S,12'S)-7-chloro-12'-(cyclobutylmethyl)-7'-hydroxy-11'-methyl-13'-methylidene-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one;(3'R,4S,6'R,7'S,8'Z,11'R,12'S)-7-chloro-12'-(cyclopropylmethyl)-7'-hydroxy-11'-methyl-13',13'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one;(3'R,4S,6'R,7'S,8'E,11'S,12'R)-7-chloro-12'-(cyclopropylmethyl)-7'-methoxy-11'-methyl-13',13'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one?

The IUPAC name of (3'R,4S,6'R,7'S,8'E,11'R,12'S)-7-chloro-12'-(cyclobutylmethyl)-7'-hydroxy-11'-methyl-13'-methylidene-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one;(3'R,4S,6'R,7'S,8'E,11'S,12'S)-7-chloro-12'-(cyclobutylmethyl)-7'-hydroxy-11'-methyl-13'-methylidene-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one;(3'R,4S,6'R,7'S,8'Z,11'R,12'S)-7-chloro-12'-(cyclopropylmethyl)-7'-hydroxy-11'-methyl-13',13'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one;(3'R,4S,6'R,7'S,8'E,11'S,12'R)-7-chloro-12'-(cyclopropylmethyl)-7'-methoxy-11'-methyl-13',13'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one (CID 158837971) is (3'R,4S,6'R,7'S,8'E,11'R,12'S)-7-chloro-12'-(cyclobutylmethyl)-7'-hydroxy-11'-methyl-13'-methylidene-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one;(3'R,4S,6'R,7'S,8'E,11'S,12'S)-7-chloro-12'-(cyclobutylmethyl)-7'-hydroxy-11'-methyl-13'-methylidene-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one;(3'R,4S,6'R,7'S,8'Z,11'R,12'S)-7-chloro-12'-(cyclopropylmethyl)-7'-hydroxy-11'-methyl-13',13'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one;(3'R,4S,6'R,7'S,8'E,11'S,12'R)-7-chloro-12'-(cyclopropylmethyl)-7'-methoxy-11'-methyl-13',13'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one.

What is the SMILES notation for (3'R,4S,6'R,7'S,8'E,11'R,12'S)-7-chloro-12'-(cyclobutylmethyl)-7'-hydroxy-11'-methyl-13'-methylidene-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one;(3'R,4S,6'R,7'S,8'E,11'S,12'S)-7-chloro-12'-(cyclobutylmethyl)-7'-hydroxy-11'-methyl-13'-methylidene-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one;(3'R,4S,6'R,7'S,8'Z,11'R,12'S)-7-chloro-12'-(cyclopropylmethyl)-7'-hydroxy-11'-methyl-13',13'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one;(3'R,4S,6'R,7'S,8'E,11'S,12'R)-7-chloro-12'-(cyclopropylmethyl)-7'-methoxy-11'-methyl-13',13'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one?

The canonical SMILES for (3'R,4S,6'R,7'S,8'E,11'R,12'S)-7-chloro-12'-(cyclobutylmethyl)-7'-hydroxy-11'-methyl-13'-methylidene-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one;(3'R,4S,6'R,7'S,8'E,11'S,12'S)-7-chloro-12'-(cyclobutylmethyl)-7'-hydroxy-11'-methyl-13'-methylidene-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one;(3'R,4S,6'R,7'S,8'Z,11'R,12'S)-7-chloro-12'-(cyclopropylmethyl)-7'-hydroxy-11'-methyl-13',13'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one;(3'R,4S,6'R,7'S,8'E,11'S,12'R)-7-chloro-12'-(cyclopropylmethyl)-7'-methoxy-11'-methyl-13',13'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one is C=S1(=O)NC(=O)c2ccc3c(c2)N(C[C@@H]2CC[C@H]2[C@@H](O)/C=C/C[C@@H](C)[C@@H]1CC1CCC1)C[C@@]1(CCCc2cc(Cl)ccc21)CO3.C=S1(=O)NC(=O)c2ccc3c(c2)N(C[C@@H]2CC[C@H]2[C@@H](O)/C=C/C[C@H](C)[C@@H]1CC1CCC1)C[C@@]1(CCCc2cc(Cl)ccc21)CO3.CO[C@H]1/C=C/C[C@H](C)[C@@H](CC2CC2)S(=O)(=O)NC(=O)c2ccc3c(c2)N(C[C@@H]2CC[C@H]21)C[C@@]1(CCCc2cc(Cl)ccc21)CO3.C[C@@H]1C/C=C\[C@H](O)[C@@H]2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc43)COc3ccc(cc32)C(=O)NS(=O)(=O)[C@H]1CC1CC1.

What is the InChIKey of (3'R,4S,6'R,7'S,8'E,11'R,12'S)-7-chloro-12'-(cyclobutylmethyl)-7'-hydroxy-11'-methyl-13'-methylidene-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one;(3'R,4S,6'R,7'S,8'E,11'S,12'S)-7-chloro-12'-(cyclobutylmethyl)-7'-hydroxy-11'-methyl-13'-methylidene-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one;(3'R,4S,6'R,7'S,8'Z,11'R,12'S)-7-chloro-12'-(cyclopropylmethyl)-7'-hydroxy-11'-methyl-13',13'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one;(3'R,4S,6'R,7'S,8'E,11'S,12'R)-7-chloro-12'-(cyclopropylmethyl)-7'-methoxy-11'-methyl-13',13'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one?

The InChIKey is IXWKMEDIQNTODW-HQYFPKNZSA-N. The full InChI is InChI=1S/2C37H47ClN2O4S.C36H45ClN2O5S.C35H43ClN2O5S/c2*1-24-6-3-10-33(41)30-14-11-28(30)21-40-22-37(17-5-9-26-19-29(38)13-15-31(26)37)23-44-34-16-12-27(20-32(34)40)36(42)39-45(2,43)35(24)18-25-7-4-8-25;1-23-5-3-7-32(43-2)29-13-10-27(29)20-39-21-36(16-4-6-25-18-28(37)12-14-30(25)36)22-44-33-15-11-26(19-31(33)39)35(40)38-45(41,42)34(23)17-24-8-9-24;1-22-4-2-6-31(39)28-12-9-26(28)19-38-20-35(15-3-5-24-17-27(36)11-13-29(24)35)21-43-32-14-10-25(18-30(32)38)34(40)37-44(41,42)33(22)16-23-7-8-23/h2*3,10,12-13,15-16,19-20,24-25,28,30,33,35,41H,2,4-9,11,14,17-18,21-23H2,1H3,(H,39,42,43);3,7,11-12,14-15,18-19,23-24,27,29,32,34H,4-6,8-10,13,16-17,20-22H2,1-2H3,(H,38,40);2,6,10-11,13-14,17-18,22-23,26,28,31,33,39H,3-5,7-9,12,15-16,19-21H2,1H3,(H,37,40)/b2*10-3+;7-3+;6-2-/t24-,28+,30-,33+,35+,37+,45?;24-,28-,30+,33-,35-,37-,45?;23-,27-,29+,32-,34+,36-;22-,26+,28-,31+,33+,35+/m1001/s1.

What are the key properties of (3'R,4S,6'R,7'S,8'E,11'R,12'S)-7-chloro-12'-(cyclobutylmethyl)-7'-hydroxy-11'-methyl-13'-methylidene-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one;(3'R,4S,6'R,7'S,8'E,11'S,12'S)-7-chloro-12'-(cyclobutylmethyl)-7'-hydroxy-11'-methyl-13'-methylidene-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one;(3'R,4S,6'R,7'S,8'Z,11'R,12'S)-7-chloro-12'-(cyclopropylmethyl)-7'-hydroxy-11'-methyl-13',13'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one;(3'R,4S,6'R,7'S,8'E,11'S,12'R)-7-chloro-12'-(cyclopropylmethyl)-7'-methoxy-11'-methyl-13',13'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one?

(3'R,4S,6'R,7'S,8'E,11'R,12'S)-7-chloro-12'-(cyclobutylmethyl)-7'-hydroxy-11'-methyl-13'-methylidene-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one;(3'R,4S,6'R,7'S,8'E,11'S,12'S)-7-chloro-12'-(cyclobutylmethyl)-7'-hydroxy-11'-methyl-13'-methylidene-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one;(3'R,4S,6'R,7'S,8'Z,11'R,12'S)-7-chloro-12'-(cyclopropylmethyl)-7'-hydroxy-11'-methyl-13',13'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one;(3'R,4S,6'R,7'S,8'E,11'S,12'R)-7-chloro-12'-(cyclopropylmethyl)-7'-methoxy-11'-methyl-13',13'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one has a molecular weight of 2595.17 g/mol, XLogP of 26.14, 9 rotatable bonds, 7 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for (3'R,4S,6'R,7'S,8'E,11'R,12'S)-7-chloro-12'-(cyclobutylmethyl)-7'-hydroxy-11'-methyl-13'-methylidene-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one;(3'R,4S,6'R,7'S,8'E,11'S,12'S)-7-chloro-12'-(cyclobutylmethyl)-7'-hydroxy-11'-methyl-13'-methylidene-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one;(3'R,4S,6'R,7'S,8'Z,11'R,12'S)-7-chloro-12'-(cyclopropylmethyl)-7'-hydroxy-11'-methyl-13',13'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one;(3'R,4S,6'R,7'S,8'E,11'S,12'R)-7-chloro-12'-(cyclopropylmethyl)-7'-methoxy-11'-methyl-13',13'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one is sourced from PubChem (CID 158837971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).