(3'R,4S,6'R,7'S,10'E,12'R)-7-chloro-12'-ethyl-7'-hydroxy-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-10,16(25),17,19(24)-tetraene]-15'-one;(3'R,4S,6'R,7'S,10'E,12'S)-7-chloro-12'-ethyl-7'-hydroxy-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-10,16(25),17,19(24)-tetraene]-15'-one;(3R,6R,7S,8E,11S,21S)-7'-chloro-7-hydroxy-11-methyl-12-methylidene-12-oxospiro[19-oxa-12λ6-thia-1,13-diazatetracyclo[13.7.2.03,6.018,23]tetracosa-8,15(24),16,18(23)-tetraene-21,4'-2,3-dihydro-1H-naphthalene]-14-one;(3R,6R,7S,8E,11R,21S)-7'-chloro-7-hydroxy-11-methyl-12-methylidene-12-oxospiro[19-oxa-12λ6-thia-1,13-diazatetracyclo[13.7.2.03,6.018,23]tetracosa-8,15(24),16,18(23)-tetraene-21,4'-2,3-dihydro-1H-naphthalene]-14-one;(3R,6R,11S,21S)-7'-chloro-11-methyl-12-methylidene-12-oxospiro[19-oxa-12λ6-thia-1,13-diazatetracyclo[13.7.2.03,6.018,23]tetracosa-15(24),16,18(23)-triene-21,4'-2,3-dihydro-1H-naphthalene]-7,14-dione

C157H189Cl5N10O22S5 — CID 158614275

About (3'R,4S,6'R,7'S,10'E,12'R)-7-chloro-12'-ethyl-7'-hydroxy-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-10,16(25),17,19(24)-tetraene]-15'-one;(3'R,4S,6'R,7'S,10'E,12'S)-7-chloro-12'-ethyl-7'-hydroxy-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-10,16(25),17,19(24)-tetraene]-15'-one;(3R,6R,7S,8E,11S,21S)-7'-chloro-7-hydroxy-11-methyl-12-methylidene-12-oxospiro[19-oxa-12λ6-thia-1,13-diazatetracyclo[13.7.2.03,6.018,23]tetracosa-8,15(24),16,18(23)-tetraene-21,4'-2,3-dihydro-1H-naphthalene]-14-one;(3R,6R,7S,8E,11R,21S)-7'-chloro-7-hydroxy-11-methyl-12-methylidene-12-oxospiro[19-oxa-12λ6-thia-1,13-diazatetracyclo[13.7.2.03,6.018,23]tetracosa-8,15(24),16,18(23)-tetraene-21,4'-2,3-dihydro-1H-naphthalene]-14-one;(3R,6R,11S,21S)-7'-chloro-11-methyl-12-methylidene-12-oxospiro[19-oxa-12λ6-thia-1,13-diazatetracyclo[13.7.2.03,6.018,23]tetracosa-15(24),16,18(23)-triene-21,4'-2,3-dihydro-1H-naphthalene]-7,14-dione

(3'R,4S,6'R,7'S,10'E,12'R)-7-chloro-12'-ethyl-7'-hydroxy-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-10,16(25),17,19(24)-tetraene]-15'-one;(3'R,4S,6'R,7'S,10'E,12'S)-7-chloro-12'-ethyl-7'-hydroxy-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-10,16(25),17,19(24)-tetraene]-15'-one;(3R,6R,7S,8E,11S,21S)-7'-chloro-7-hydroxy-11-methyl-12-methylidene-12-oxospiro[19-oxa-12λ6-thia-1,13-diazatetracyclo[13.7.2.03,6.018,23]tetracosa-8,15(24),16,18(23)-tetraene-21,4'-2,3-dihydro-1H-naphthalene]-14-one;(3R,6R,7S,8E,11R,21S)-7'-chloro-7-hydroxy-11-methyl-12-methylidene-12-oxospiro[19-oxa-12λ6-thia-1,13-diazatetracyclo[13.7.2.03,6.018,23]tetracosa-8,15(24),16,18(23)-tetraene-21,4'-2,3-dihydro-1H-naphthalene]-14-one;(3R,6R,11S,21S)-7'-chloro-11-methyl-12-methylidene-12-oxospiro[19-oxa-12λ6-thia-1,13-diazatetracyclo[13.7.2.03,6.018,23]tetracosa-15(24),16,18(23)-triene-21,4'-2,3-dihydro-1H-naphthalene]-7,14-dione (PubChem CID 158614275) has the molecular formula C157H189Cl5N10O22S5 and a molecular weight of 2905.89 g/mol. Its IUPAC name is (3'R,4S,6'R,7'S,10'E,12'R)-7-chloro-12'-ethyl-7'-hydroxy-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-10,16(25),17,19(24)-tetraene]-15'-one;(3'R,4S,6'R,7'S,10'E,12'S)-7-chloro-12'-ethyl-7'-hydroxy-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-10,16(25),17,19(24)-tetraene]-15'-one;(3R,6R,7S,8E,11S,21S)-7'-chloro-7-hydroxy-11-methyl-12-methylidene-12-oxospiro[19-oxa-12λ6-thia-1,13-diazatetracyclo[13.7.2.03,6.018,23]tetracosa-8,15(24),16,18(23)-tetraene-21,4'-2,3-dihydro-1H-naphthalene]-14-one;(3R,6R,7S,8E,11R,21S)-7'-chloro-7-hydroxy-11-methyl-12-methylidene-12-oxospiro[19-oxa-12λ6-thia-1,13-diazatetracyclo[13.7.2.03,6.018,23]tetracosa-8,15(24),16,18(23)-tetraene-21,4'-2,3-dihydro-1H-naphthalene]-14-one;(3R,6R,11S,21S)-7'-chloro-11-methyl-12-methylidene-12-oxospiro[19-oxa-12λ6-thia-1,13-diazatetracyclo[13.7.2.03,6.018,23]tetracosa-15(24),16,18(23)-triene-21,4'-2,3-dihydro-1H-naphthalene]-7,14-dione.

Molecular Properties

• Compound Name: (3'R,4S,6'R,7'S,10'E,12'R)-7-chloro-12'-ethyl-7'-hydroxy-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-10,16(25),17,19(24)-tetraene]-15'-one;(3'R,4S,6'R,7'S,10'E,12'S)-7-chloro-12'-ethyl-7'-hydroxy-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-10,16(25),17,19(24)-tetraene]-15'-one;(3R,6R,7S,8E,11S,21S)-7'-chloro-7-hydroxy-11-methyl-12-methylidene-12-oxospiro[19-oxa-12λ6-thia-1,13-diazatetracyclo[13.7.2.03,6.018,23]tetracosa-8,15(24),16,18(23)-tetraene-21,4'-2,3-dihydro-1H-naphthalene]-14-one;(3R,6R,7S,8E,11R,21S)-7'-chloro-7-hydroxy-11-methyl-12-methylidene-12-oxospiro[19-oxa-12λ6-thia-1,13-diazatetracyclo[13.7.2.03,6.018,23]tetracosa-8,15(24),16,18(23)-tetraene-21,4'-2,3-dihydro-1H-naphthalene]-14-one;(3R,6R,11S,21S)-7'-chloro-11-methyl-12-methylidene-12-oxospiro[19-oxa-12λ6-thia-1,13-diazatetracyclo[13.7.2.03,6.018,23]tetracosa-15(24),16,18(23)-triene-21,4'-2,3-dihydro-1H-naphthalene]-7,14-dione
• PubChem CID: 158614275
• Molecular Formula: C157H189Cl5N10O22S5
• Molecular Weight: 2905.89 g/mol
• Exact Mass: 2901.10
• IUPAC Name: (3'R,4S,6'R,7'S,10'E,12'R)-7-chloro-12'-ethyl-7'-hydroxy-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-10,16(25),17,19(24)-tetraene]-15'-one;(3'R,4S,6'R,7'S,10'E,12'S)-7-chloro-12'-ethyl-7'-hydroxy-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-10,16(25),17,19(24)-tetraene]-15'-one;(3R,6R,7S,8E,11S,21S)-7'-chloro-7-hydroxy-11-methyl-12-methylidene-12-oxospiro[19-oxa-12λ6-thia-1,13-diazatetracyclo[13.7.2.03,6.018,23]tetracosa-8,15(24),16,18(23)-tetraene-21,4'-2,3-dihydro-1H-naphthalene]-14-one;(3R,6R,7S,8E,11R,21S)-7'-chloro-7-hydroxy-11-methyl-12-methylidene-12-oxospiro[19-oxa-12λ6-thia-1,13-diazatetracyclo[13.7.2.03,6.018,23]tetracosa-8,15(24),16,18(23)-tetraene-21,4'-2,3-dihydro-1H-naphthalene]-14-one;(3R,6R,11S,21S)-7'-chloro-11-methyl-12-methylidene-12-oxospiro[19-oxa-12λ6-thia-1,13-diazatetracyclo[13.7.2.03,6.018,23]tetracosa-15(24),16,18(23)-triene-21,4'-2,3-dihydro-1H-naphthalene]-7,14-dione
• SMILES: C=S1(=O)NC(=O)c2ccc3c(c2)N(C[C@@H]2CC[C@H]2C(=O)CCC[C@@H]1C)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]1C)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]1C)C[C@@]1(CCCc2cc(Cl)ccc21)CO3.CC[C@@H]1/C=C/CC[C@H](O)[C@@H]2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc43)COc3ccc(cc32)C(=O)NS1(=O)=O.CC[C@H]1/C=C/CC[C@H](O)[C@@H]2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc43)COc3ccc(cc32)C(=O)NS1(=O)=O
• InChI: InChI=1S/2C32H39ClN2O5S.3C31H37ClN2O4S/c2*1-2-25-7-3-4-8-29(36)26-12-9-23(26)18-35-19-32(15-5-6-21-16-24(33)11-13-27(21)32)20-40-30-14-10-22(17-28(30)35)31(37)34-41(25,38)39;3*1-20-5-3-7-28(35)25-11-8-23(25)17-34-18-31(14-4-6-21-15-24(32)10-12-26(21)31)19-38-29-13-9-22(16-27(29)34)30(36)33-39(20,2)37/h2*3,7,10-11,13-14,16-17,23,25-26,29,36H,2,4-6,8-9,12,15,18-20H2,1H3,(H,34,37);9-10,12-13,15-16,20,23,25H,2-8,11,14,17-19H2,1H3,(H,33,36,37);2*3,7,9-10,12-13,15-16,20,23,25,28,35H,2,4-6,8,11,14,17-19H2,1H3,(H,33,36,37)/b2*7-3+;;2*7-3+/t23-,25+,26+,29-,32-;23-,25-,26+,29-,32-;20-,23-,25+,31-,39?;20-,23+,25-,28+,31+,39?;20-,23-,25+,28-,31-,39?/m00010/s1
• InChIKey: HXEXADXRYWFJFP-GLAKXVAMSA-N
• XLogP: 25.94
• TPSA: 425.33 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 27
• Rotatable Bonds: 2
• Heavy Atoms: 199
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2905.89
LogP ≤ 5	25.94
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	27

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,10'E,12'R)-7-chloro-12'-ethyl-7'-hydroxy-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-10,16(25),17,19(24)-tetraene]-15'-one;(3'R,4S,6'R,7'S,10'E,12'S)-7-chloro-12'-ethyl-7'-hydroxy-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-10,16(25),17,19(24)-tetraene]-15'-one;(3R,6R,7S,8E,11S,21S)-7'-chloro-7-hydroxy-11-methyl-12-methylidene-12-oxospiro[19-oxa-12λ6-thia-1,13-diazatetracyclo[13.7.2.03,6.018,23]tetracosa-8,15(24),16,18(23)-tetraene-21,4'-2,3-dihydro-1H-naphthalene]-14-one;(3R,6R,7S,8E,11R,21S)-7'-chloro-7-hydroxy-11-methyl-12-methylidene-12-oxospiro[19-oxa-12λ6-thia-1,13-diazatetracyclo[13.7.2.03,6.018,23]tetracosa-8,15(24),16,18(23)-tetraene-21,4'-2,3-dihydro-1H-naphthalene]-14-one;(3R,6R,11S,21S)-7'-chloro-11-methyl-12-methylidene-12-oxospiro[19-oxa-12λ6-thia-1,13-diazatetracyclo[13.7.2.03,6.018,23]tetracosa-15(24),16,18(23)-triene-21,4'-2,3-dihydro-1H-naphthalene]-7,14-dione?

The IUPAC name of (3'R,4S,6'R,7'S,10'E,12'R)-7-chloro-12'-ethyl-7'-hydroxy-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-10,16(25),17,19(24)-tetraene]-15'-one;(3'R,4S,6'R,7'S,10'E,12'S)-7-chloro-12'-ethyl-7'-hydroxy-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-10,16(25),17,19(24)-tetraene]-15'-one;(3R,6R,7S,8E,11S,21S)-7'-chloro-7-hydroxy-11-methyl-12-methylidene-12-oxospiro[19-oxa-12λ6-thia-1,13-diazatetracyclo[13.7.2.03,6.018,23]tetracosa-8,15(24),16,18(23)-tetraene-21,4'-2,3-dihydro-1H-naphthalene]-14-one;(3R,6R,7S,8E,11R,21S)-7'-chloro-7-hydroxy-11-methyl-12-methylidene-12-oxospiro[19-oxa-12λ6-thia-1,13-diazatetracyclo[13.7.2.03,6.018,23]tetracosa-8,15(24),16,18(23)-tetraene-21,4'-2,3-dihydro-1H-naphthalene]-14-one;(3R,6R,11S,21S)-7'-chloro-11-methyl-12-methylidene-12-oxospiro[19-oxa-12λ6-thia-1,13-diazatetracyclo[13.7.2.03,6.018,23]tetracosa-15(24),16,18(23)-triene-21,4'-2,3-dihydro-1H-naphthalene]-7,14-dione (CID 158614275) is (3'R,4S,6'R,7'S,10'E,12'R)-7-chloro-12'-ethyl-7'-hydroxy-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-10,16(25),17,19(24)-tetraene]-15'-one;(3'R,4S,6'R,7'S,10'E,12'S)-7-chloro-12'-ethyl-7'-hydroxy-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-10,16(25),17,19(24)-tetraene]-15'-one;(3R,6R,7S,8E,11S,21S)-7'-chloro-7-hydroxy-11-methyl-12-methylidene-12-oxospiro[19-oxa-12λ6-thia-1,13-diazatetracyclo[13.7.2.03,6.018,23]tetracosa-8,15(24),16,18(23)-tetraene-21,4'-2,3-dihydro-1H-naphthalene]-14-one;(3R,6R,7S,8E,11R,21S)-7'-chloro-7-hydroxy-11-methyl-12-methylidene-12-oxospiro[19-oxa-12λ6-thia-1,13-diazatetracyclo[13.7.2.03,6.018,23]tetracosa-8,15(24),16,18(23)-tetraene-21,4'-2,3-dihydro-1H-naphthalene]-14-one;(3R,6R,11S,21S)-7'-chloro-11-methyl-12-methylidene-12-oxospiro[19-oxa-12λ6-thia-1,13-diazatetracyclo[13.7.2.03,6.018,23]tetracosa-15(24),16,18(23)-triene-21,4'-2,3-dihydro-1H-naphthalene]-7,14-dione.

What is the SMILES notation for (3'R,4S,6'R,7'S,10'E,12'R)-7-chloro-12'-ethyl-7'-hydroxy-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-10,16(25),17,19(24)-tetraene]-15'-one;(3'R,4S,6'R,7'S,10'E,12'S)-7-chloro-12'-ethyl-7'-hydroxy-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-10,16(25),17,19(24)-tetraene]-15'-one;(3R,6R,7S,8E,11S,21S)-7'-chloro-7-hydroxy-11-methyl-12-methylidene-12-oxospiro[19-oxa-12λ6-thia-1,13-diazatetracyclo[13.7.2.03,6.018,23]tetracosa-8,15(24),16,18(23)-tetraene-21,4'-2,3-dihydro-1H-naphthalene]-14-one;(3R,6R,7S,8E,11R,21S)-7'-chloro-7-hydroxy-11-methyl-12-methylidene-12-oxospiro[19-oxa-12λ6-thia-1,13-diazatetracyclo[13.7.2.03,6.018,23]tetracosa-8,15(24),16,18(23)-tetraene-21,4'-2,3-dihydro-1H-naphthalene]-14-one;(3R,6R,11S,21S)-7'-chloro-11-methyl-12-methylidene-12-oxospiro[19-oxa-12λ6-thia-1,13-diazatetracyclo[13.7.2.03,6.018,23]tetracosa-15(24),16,18(23)-triene-21,4'-2,3-dihydro-1H-naphthalene]-7,14-dione?

The canonical SMILES for (3'R,4S,6'R,7'S,10'E,12'R)-7-chloro-12'-ethyl-7'-hydroxy-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-10,16(25),17,19(24)-tetraene]-15'-one;(3'R,4S,6'R,7'S,10'E,12'S)-7-chloro-12'-ethyl-7'-hydroxy-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-10,16(25),17,19(24)-tetraene]-15'-one;(3R,6R,7S,8E,11S,21S)-7'-chloro-7-hydroxy-11-methyl-12-methylidene-12-oxospiro[19-oxa-12λ6-thia-1,13-diazatetracyclo[13.7.2.03,6.018,23]tetracosa-8,15(24),16,18(23)-tetraene-21,4'-2,3-dihydro-1H-naphthalene]-14-one;(3R,6R,7S,8E,11R,21S)-7'-chloro-7-hydroxy-11-methyl-12-methylidene-12-oxospiro[19-oxa-12λ6-thia-1,13-diazatetracyclo[13.7.2.03,6.018,23]tetracosa-8,15(24),16,18(23)-tetraene-21,4'-2,3-dihydro-1H-naphthalene]-14-one;(3R,6R,11S,21S)-7'-chloro-11-methyl-12-methylidene-12-oxospiro[19-oxa-12λ6-thia-1,13-diazatetracyclo[13.7.2.03,6.018,23]tetracosa-15(24),16,18(23)-triene-21,4'-2,3-dihydro-1H-naphthalene]-7,14-dione is C=S1(=O)NC(=O)c2ccc3c(c2)N(C[C@@H]2CC[C@H]2C(=O)CCC[C@@H]1C)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]1C)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]1C)C[C@@]1(CCCc2cc(Cl)ccc21)CO3.CC[C@@H]1/C=C/CC[C@H](O)[C@@H]2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc43)COc3ccc(cc32)C(=O)NS1(=O)=O.CC[C@H]1/C=C/CC[C@H](O)[C@@H]2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc43)COc3ccc(cc32)C(=O)NS1(=O)=O.

What is the InChIKey of (3'R,4S,6'R,7'S,10'E,12'R)-7-chloro-12'-ethyl-7'-hydroxy-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-10,16(25),17,19(24)-tetraene]-15'-one;(3'R,4S,6'R,7'S,10'E,12'S)-7-chloro-12'-ethyl-7'-hydroxy-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-10,16(25),17,19(24)-tetraene]-15'-one;(3R,6R,7S,8E,11S,21S)-7'-chloro-7-hydroxy-11-methyl-12-methylidene-12-oxospiro[19-oxa-12λ6-thia-1,13-diazatetracyclo[13.7.2.03,6.018,23]tetracosa-8,15(24),16,18(23)-tetraene-21,4'-2,3-dihydro-1H-naphthalene]-14-one;(3R,6R,7S,8E,11R,21S)-7'-chloro-7-hydroxy-11-methyl-12-methylidene-12-oxospiro[19-oxa-12λ6-thia-1,13-diazatetracyclo[13.7.2.03,6.018,23]tetracosa-8,15(24),16,18(23)-tetraene-21,4'-2,3-dihydro-1H-naphthalene]-14-one;(3R,6R,11S,21S)-7'-chloro-11-methyl-12-methylidene-12-oxospiro[19-oxa-12λ6-thia-1,13-diazatetracyclo[13.7.2.03,6.018,23]tetracosa-15(24),16,18(23)-triene-21,4'-2,3-dihydro-1H-naphthalene]-7,14-dione?

The InChIKey is HXEXADXRYWFJFP-GLAKXVAMSA-N. The full InChI is InChI=1S/2C32H39ClN2O5S.3C31H37ClN2O4S/c2*1-2-25-7-3-4-8-29(36)26-12-9-23(26)18-35-19-32(15-5-6-21-16-24(33)11-13-27(21)32)20-40-30-14-10-22(17-28(30)35)31(37)34-41(25,38)39;3*1-20-5-3-7-28(35)25-11-8-23(25)17-34-18-31(14-4-6-21-15-24(32)10-12-26(21)31)19-38-29-13-9-22(16-27(29)34)30(36)33-39(20,2)37/h2*3,7,10-11,13-14,16-17,23,25-26,29,36H,2,4-6,8-9,12,15,18-20H2,1H3,(H,34,37);9-10,12-13,15-16,20,23,25H,2-8,11,14,17-19H2,1H3,(H,33,36,37);2*3,7,9-10,12-13,15-16,20,23,25,28,35H,2,4-6,8,11,14,17-19H2,1H3,(H,33,36,37)/b2*7-3+;;2*7-3+/t23-,25+,26+,29-,32-;23-,25-,26+,29-,32-;20-,23-,25+,31-,39?;20-,23+,25-,28+,31+,39?;20-,23-,25+,28-,31-,39?/m00010/s1.

What are the key properties of (3'R,4S,6'R,7'S,10'E,12'R)-7-chloro-12'-ethyl-7'-hydroxy-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-10,16(25),17,19(24)-tetraene]-15'-one;(3'R,4S,6'R,7'S,10'E,12'S)-7-chloro-12'-ethyl-7'-hydroxy-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-10,16(25),17,19(24)-tetraene]-15'-one;(3R,6R,7S,8E,11S,21S)-7'-chloro-7-hydroxy-11-methyl-12-methylidene-12-oxospiro[19-oxa-12λ6-thia-1,13-diazatetracyclo[13.7.2.03,6.018,23]tetracosa-8,15(24),16,18(23)-tetraene-21,4'-2,3-dihydro-1H-naphthalene]-14-one;(3R,6R,7S,8E,11R,21S)-7'-chloro-7-hydroxy-11-methyl-12-methylidene-12-oxospiro[19-oxa-12λ6-thia-1,13-diazatetracyclo[13.7.2.03,6.018,23]tetracosa-8,15(24),16,18(23)-tetraene-21,4'-2,3-dihydro-1H-naphthalene]-14-one;(3R,6R,11S,21S)-7'-chloro-11-methyl-12-methylidene-12-oxospiro[19-oxa-12λ6-thia-1,13-diazatetracyclo[13.7.2.03,6.018,23]tetracosa-15(24),16,18(23)-triene-21,4'-2,3-dihydro-1H-naphthalene]-7,14-dione?

(3'R,4S,6'R,7'S,10'E,12'R)-7-chloro-12'-ethyl-7'-hydroxy-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-10,16(25),17,19(24)-tetraene]-15'-one;(3'R,4S,6'R,7'S,10'E,12'S)-7-chloro-12'-ethyl-7'-hydroxy-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-10,16(25),17,19(24)-tetraene]-15'-one;(3R,6R,7S,8E,11S,21S)-7'-chloro-7-hydroxy-11-methyl-12-methylidene-12-oxospiro[19-oxa-12λ6-thia-1,13-diazatetracyclo[13.7.2.03,6.018,23]tetracosa-8,15(24),16,18(23)-tetraene-21,4'-2,3-dihydro-1H-naphthalene]-14-one;(3R,6R,7S,8E,11R,21S)-7'-chloro-7-hydroxy-11-methyl-12-methylidene-12-oxospiro[19-oxa-12λ6-thia-1,13-diazatetracyclo[13.7.2.03,6.018,23]tetracosa-8,15(24),16,18(23)-tetraene-21,4'-2,3-dihydro-1H-naphthalene]-14-one;(3R,6R,11S,21S)-7'-chloro-11-methyl-12-methylidene-12-oxospiro[19-oxa-12λ6-thia-1,13-diazatetracyclo[13.7.2.03,6.018,23]tetracosa-15(24),16,18(23)-triene-21,4'-2,3-dihydro-1H-naphthalene]-7,14-dione has a molecular weight of 2905.89 g/mol, XLogP of 25.94, 2 rotatable bonds, 9 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for (3'R,4S,6'R,7'S,10'E,12'R)-7-chloro-12'-ethyl-7'-hydroxy-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-10,16(25),17,19(24)-tetraene]-15'-one;(3'R,4S,6'R,7'S,10'E,12'S)-7-chloro-12'-ethyl-7'-hydroxy-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-10,16(25),17,19(24)-tetraene]-15'-one;(3R,6R,7S,8E,11S,21S)-7'-chloro-7-hydroxy-11-methyl-12-methylidene-12-oxospiro[19-oxa-12λ6-thia-1,13-diazatetracyclo[13.7.2.03,6.018,23]tetracosa-8,15(24),16,18(23)-tetraene-21,4'-2,3-dihydro-1H-naphthalene]-14-one;(3R,6R,7S,8E,11R,21S)-7'-chloro-7-hydroxy-11-methyl-12-methylidene-12-oxospiro[19-oxa-12λ6-thia-1,13-diazatetracyclo[13.7.2.03,6.018,23]tetracosa-8,15(24),16,18(23)-tetraene-21,4'-2,3-dihydro-1H-naphthalene]-14-one;(3R,6R,11S,21S)-7'-chloro-11-methyl-12-methylidene-12-oxospiro[19-oxa-12λ6-thia-1,13-diazatetracyclo[13.7.2.03,6.018,23]tetracosa-15(24),16,18(23)-triene-21,4'-2,3-dihydro-1H-naphthalene]-7,14-dione is sourced from PubChem (CID 158614275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).