(3'R,4S,6'R,7'S,8'E,15'R)-N-(azetidin-1-ylsulfonyl)-7-chloro-15'-hydroxy-7'-methoxy-12'-methyl-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-1,12-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-carboxamide;(3'R,4S,6'R,7'S,8'E,15'R)-N-tert-butylsulfonyl-7-chloro-15'-hydroxy-7'-methoxy-12'-methyl-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-1,12-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-carboxamide;(3'R,4S,6'R,7'S,8'E,15'R)-7-chloro-N-ethylsulfonyl-15'-hydroxy-7'-methoxy-12'-methyl-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-1,12-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-carboxamide;(3'R,4S,6'R,7'S,8'E,15'R)-7-chloro-15'-hydroxy-7'-methoxy-N-[2-methoxyethyl(methyl)sulfamoyl]-12'-methyl-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-1,12-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-carboxamide;(3'R,4S,6'R,7'S,8'E,15'R)-7-chloro-15'-hydroxy-7'-methoxy-12'-methyl-13'-oxo-N-pyrrolidin-1-ylsulfonylspiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-1,12-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-carboxamide

C187H243Cl5N18O36S5 — CID 160608125

About (3'R,4S,6'R,7'S,8'E,15'R)-N-(azetidin-1-ylsulfonyl)-7-chloro-15'-hydroxy-7'-methoxy-12'-methyl-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-1,12-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-carboxamide;(3'R,4S,6'R,7'S,8'E,15'R)-N-tert-butylsulfonyl-7-chloro-15'-hydroxy-7'-methoxy-12'-methyl-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-1,12-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-carboxamide;(3'R,4S,6'R,7'S,8'E,15'R)-7-chloro-N-ethylsulfonyl-15'-hydroxy-7'-methoxy-12'-methyl-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-1,12-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-carboxamide;(3'R,4S,6'R,7'S,8'E,15'R)-7-chloro-15'-hydroxy-7'-methoxy-N-[2-methoxyethyl(methyl)sulfamoyl]-12'-methyl-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-1,12-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-carboxamide;(3'R,4S,6'R,7'S,8'E,15'R)-7-chloro-15'-hydroxy-7'-methoxy-12'-methyl-13'-oxo-N-pyrrolidin-1-ylsulfonylspiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-1,12-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-carboxamide

(3'R,4S,6'R,7'S,8'E,15'R)-N-(azetidin-1-ylsulfonyl)-7-chloro-15'-hydroxy-7'-methoxy-12'-methyl-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-1,12-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-carboxamide;(3'R,4S,6'R,7'S,8'E,15'R)-N-tert-butylsulfonyl-7-chloro-15'-hydroxy-7'-methoxy-12'-methyl-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-1,12-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-carboxamide;(3'R,4S,6'R,7'S,8'E,15'R)-7-chloro-N-ethylsulfonyl-15'-hydroxy-7'-methoxy-12'-methyl-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-1,12-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-carboxamide;(3'R,4S,6'R,7'S,8'E,15'R)-7-chloro-15'-hydroxy-7'-methoxy-N-[2-methoxyethyl(methyl)sulfamoyl]-12'-methyl-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-1,12-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-carboxamide;(3'R,4S,6'R,7'S,8'E,15'R)-7-chloro-15'-hydroxy-7'-methoxy-12'-methyl-13'-oxo-N-pyrrolidin-1-ylsulfonylspiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-1,12-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-carboxamide (PubChem CID 160608125) has the molecular formula C187H243Cl5N18O36S5 and a molecular weight of 3656.69 g/mol. Its IUPAC name is (3'R,4S,6'R,7'S,8'E,15'R)-N-(azetidin-1-ylsulfonyl)-7-chloro-15'-hydroxy-7'-methoxy-12'-methyl-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-1,12-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-carboxamide;(3'R,4S,6'R,7'S,8'E,15'R)-N-tert-butylsulfonyl-7-chloro-15'-hydroxy-7'-methoxy-12'-methyl-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-1,12-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-carboxamide;(3'R,4S,6'R,7'S,8'E,15'R)-7-chloro-N-ethylsulfonyl-15'-hydroxy-7'-methoxy-12'-methyl-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-1,12-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-carboxamide;(3'R,4S,6'R,7'S,8'E,15'R)-7-chloro-15'-hydroxy-7'-methoxy-N-[2-methoxyethyl(methyl)sulfamoyl]-12'-methyl-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-1,12-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-carboxamide;(3'R,4S,6'R,7'S,8'E,15'R)-7-chloro-15'-hydroxy-7'-methoxy-12'-methyl-13'-oxo-N-pyrrolidin-1-ylsulfonylspiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-1,12-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-carboxamide.

Molecular Properties

• Compound Name: (3'R,4S,6'R,7'S,8'E,15'R)-N-(azetidin-1-ylsulfonyl)-7-chloro-15'-hydroxy-7'-methoxy-12'-methyl-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-1,12-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-carboxamide;(3'R,4S,6'R,7'S,8'E,15'R)-N-tert-butylsulfonyl-7-chloro-15'-hydroxy-7'-methoxy-12'-methyl-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-1,12-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-carboxamide;(3'R,4S,6'R,7'S,8'E,15'R)-7-chloro-N-ethylsulfonyl-15'-hydroxy-7'-methoxy-12'-methyl-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-1,12-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-carboxamide;(3'R,4S,6'R,7'S,8'E,15'R)-7-chloro-15'-hydroxy-7'-methoxy-N-[2-methoxyethyl(methyl)sulfamoyl]-12'-methyl-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-1,12-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-carboxamide;(3'R,4S,6'R,7'S,8'E,15'R)-7-chloro-15'-hydroxy-7'-methoxy-12'-methyl-13'-oxo-N-pyrrolidin-1-ylsulfonylspiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-1,12-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-carboxamide
• PubChem CID: 160608125
• Molecular Formula: C187H243Cl5N18O36S5
• Molecular Weight: 3656.69 g/mol
• Exact Mass: 3651.48
• IUPAC Name: (3'R,4S,6'R,7'S,8'E,15'R)-N-(azetidin-1-ylsulfonyl)-7-chloro-15'-hydroxy-7'-methoxy-12'-methyl-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-1,12-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-carboxamide;(3'R,4S,6'R,7'S,8'E,15'R)-N-tert-butylsulfonyl-7-chloro-15'-hydroxy-7'-methoxy-12'-methyl-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-1,12-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-carboxamide;(3'R,4S,6'R,7'S,8'E,15'R)-7-chloro-N-ethylsulfonyl-15'-hydroxy-7'-methoxy-12'-methyl-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-1,12-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-carboxamide;(3'R,4S,6'R,7'S,8'E,15'R)-7-chloro-15'-hydroxy-7'-methoxy-N-[2-methoxyethyl(methyl)sulfamoyl]-12'-methyl-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-1,12-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-carboxamide;(3'R,4S,6'R,7'S,8'E,15'R)-7-chloro-15'-hydroxy-7'-methoxy-12'-methyl-13'-oxo-N-pyrrolidin-1-ylsulfonylspiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-1,12-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-carboxamide
• SMILES: CCS(=O)(=O)NC(=O)[C@@]1(O)CC(=O)N(C)CC/C=C\[C@H](OC)[C@@H]2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc43)COc3ccc1cc32.COCCN(C)S(=O)(=O)NC(=O)[C@@]1(O)CC(=O)N(C)CC/C=C\[C@H](OC)[C@@H]2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc43)COc3ccc1cc32.CO[C@H]1/C=C\CCN(C)C(=O)C[C@](O)(C(=O)NS(=O)(=O)C(C)(C)C)c2ccc3c(c2)N(C[C@@H]2CC[C@H]21)C[C@@]1(CCCc2cc(Cl)ccc21)CO3.CO[C@H]1/C=C\CCN(C)C(=O)C[C@](O)(C(=O)NS(=O)(=O)N2CCC2)c2ccc3c(c2)N(C[C@@H]2CC[C@H]21)C[C@@]1(CCCc2cc(Cl)ccc21)CO3.CO[C@H]1/C=C\CCN(C)C(=O)C[C@](O)(C(=O)NS(=O)(=O)N2CCCC2)c2ccc3c(c2)N(C[C@@H]2CC[C@H]21)C[C@@]1(CCCc2cc(Cl)ccc21)CO3
• InChI: InChI=1S/C38H51ClN4O8S.C38H49ClN4O7S.C38H50ClN3O7S.C37H47ClN4O7S.C36H46ClN3O7S/c1-41-17-6-5-9-33(50-4)30-13-10-27(30)23-43-24-37(16-7-8-26-20-29(39)12-14-31(26)37)25-51-34-15-11-28(21-32(34)43)38(46,22-35(41)44)36(45)40-52(47,48)42(2)18-19-49-3;1-41-17-4-3-9-33(49-2)30-13-10-27(30)23-42-24-37(16-7-8-26-20-29(39)12-14-31(26)37)25-50-34-15-11-28(21-32(34)42)38(46,22-35(41)44)36(45)40-51(47,48)43-18-5-6-19-43;1-36(2,3)50(46,47)40-35(44)38(45)21-34(43)41(4)18-7-6-10-32(48-5)29-14-11-26(29)22-42-23-37(24-49-33-16-12-27(38)20-31(33)42)17-8-9-25-19-28(39)13-15-30(25)37;1-40-16-4-3-8-32(48-2)29-12-9-26(29)22-41-23-36(15-5-7-25-19-28(38)11-13-30(25)36)24-49-33-14-10-27(20-31(33)41)37(45,21-34(40)43)35(44)39-50(46,47)42-17-6-18-42;1-4-48(44,45)38-34(42)36(43)20-33(41)39(2)17-6-5-9-31(46-3)28-13-10-25(28)21-40-22-35(23-47-32-15-11-26(36)19-30(32)40)16-7-8-24-18-27(37)12-14-29(24)35/h5,9,11-12,14-15,20-21,27,30,33,46H,6-8,10,13,16-19,22-25H2,1-4H3,(H,40,45);3,9,11-12,14-15,20-21,27,30,33,46H,4-8,10,13,16-19,22-25H2,1-2H3,(H,40,45);6,10,12-13,15-16,19-20,26,29,32,45H,7-9,11,14,17-18,21-24H2,1-5H3,(H,40,44);3,8,10-11,13-14,19-20,26,29,32,45H,4-7,9,12,15-18,21-24H2,1-2H3,(H,39,44);5,9,11-12,14-15,18-19,25,28,31,43H,4,6-8,10,13,16-17,20-23H2,1-3H3,(H,38,42)/b9-5-;9-3-;10-6-;8-3-;9-5-/t2*27-,30+,33-,37-,38+;26-,29+,32-,37-,38+;26-,29+,32-,36-,37+;25-,28+,31-,35-,36+/m00000/s1
• InChIKey: RFDNGEZSWHHCHX-MIXZMZBQSA-N
• XLogP: 21.42
• TPSA: 646.35 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 41
• Rotatable Bonds: 22
• Heavy Atoms: 251
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3656.69
LogP ≤ 5	21.42
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	41

Frequently Asked Questions

What is the IUPAC name of (3'R,4S,6'R,7'S,8'E,15'R)-N-(azetidin-1-ylsulfonyl)-7-chloro-15'-hydroxy-7'-methoxy-12'-methyl-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-1,12-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-carboxamide;(3'R,4S,6'R,7'S,8'E,15'R)-N-tert-butylsulfonyl-7-chloro-15'-hydroxy-7'-methoxy-12'-methyl-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-1,12-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-carboxamide;(3'R,4S,6'R,7'S,8'E,15'R)-7-chloro-N-ethylsulfonyl-15'-hydroxy-7'-methoxy-12'-methyl-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-1,12-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-carboxamide;(3'R,4S,6'R,7'S,8'E,15'R)-7-chloro-15'-hydroxy-7'-methoxy-N-[2-methoxyethyl(methyl)sulfamoyl]-12'-methyl-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-1,12-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-carboxamide;(3'R,4S,6'R,7'S,8'E,15'R)-7-chloro-15'-hydroxy-7'-methoxy-12'-methyl-13'-oxo-N-pyrrolidin-1-ylsulfonylspiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-1,12-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-carboxamide?

The IUPAC name of (3'R,4S,6'R,7'S,8'E,15'R)-N-(azetidin-1-ylsulfonyl)-7-chloro-15'-hydroxy-7'-methoxy-12'-methyl-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-1,12-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-carboxamide;(3'R,4S,6'R,7'S,8'E,15'R)-N-tert-butylsulfonyl-7-chloro-15'-hydroxy-7'-methoxy-12'-methyl-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-1,12-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-carboxamide;(3'R,4S,6'R,7'S,8'E,15'R)-7-chloro-N-ethylsulfonyl-15'-hydroxy-7'-methoxy-12'-methyl-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-1,12-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-carboxamide;(3'R,4S,6'R,7'S,8'E,15'R)-7-chloro-15'-hydroxy-7'-methoxy-N-[2-methoxyethyl(methyl)sulfamoyl]-12'-methyl-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-1,12-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-carboxamide;(3'R,4S,6'R,7'S,8'E,15'R)-7-chloro-15'-hydroxy-7'-methoxy-12'-methyl-13'-oxo-N-pyrrolidin-1-ylsulfonylspiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-1,12-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-carboxamide (CID 160608125) is (3'R,4S,6'R,7'S,8'E,15'R)-N-(azetidin-1-ylsulfonyl)-7-chloro-15'-hydroxy-7'-methoxy-12'-methyl-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-1,12-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-carboxamide;(3'R,4S,6'R,7'S,8'E,15'R)-N-tert-butylsulfonyl-7-chloro-15'-hydroxy-7'-methoxy-12'-methyl-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-1,12-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-carboxamide;(3'R,4S,6'R,7'S,8'E,15'R)-7-chloro-N-ethylsulfonyl-15'-hydroxy-7'-methoxy-12'-methyl-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-1,12-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-carboxamide;(3'R,4S,6'R,7'S,8'E,15'R)-7-chloro-15'-hydroxy-7'-methoxy-N-[2-methoxyethyl(methyl)sulfamoyl]-12'-methyl-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-1,12-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-carboxamide;(3'R,4S,6'R,7'S,8'E,15'R)-7-chloro-15'-hydroxy-7'-methoxy-12'-methyl-13'-oxo-N-pyrrolidin-1-ylsulfonylspiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-1,12-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-carboxamide.

What is the SMILES notation for (3'R,4S,6'R,7'S,8'E,15'R)-N-(azetidin-1-ylsulfonyl)-7-chloro-15'-hydroxy-7'-methoxy-12'-methyl-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-1,12-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-carboxamide;(3'R,4S,6'R,7'S,8'E,15'R)-N-tert-butylsulfonyl-7-chloro-15'-hydroxy-7'-methoxy-12'-methyl-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-1,12-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-carboxamide;(3'R,4S,6'R,7'S,8'E,15'R)-7-chloro-N-ethylsulfonyl-15'-hydroxy-7'-methoxy-12'-methyl-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-1,12-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-carboxamide;(3'R,4S,6'R,7'S,8'E,15'R)-7-chloro-15'-hydroxy-7'-methoxy-N-[2-methoxyethyl(methyl)sulfamoyl]-12'-methyl-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-1,12-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-carboxamide;(3'R,4S,6'R,7'S,8'E,15'R)-7-chloro-15'-hydroxy-7'-methoxy-12'-methyl-13'-oxo-N-pyrrolidin-1-ylsulfonylspiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-1,12-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-carboxamide?

The canonical SMILES for (3'R,4S,6'R,7'S,8'E,15'R)-N-(azetidin-1-ylsulfonyl)-7-chloro-15'-hydroxy-7'-methoxy-12'-methyl-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-1,12-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-carboxamide;(3'R,4S,6'R,7'S,8'E,15'R)-N-tert-butylsulfonyl-7-chloro-15'-hydroxy-7'-methoxy-12'-methyl-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-1,12-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-carboxamide;(3'R,4S,6'R,7'S,8'E,15'R)-7-chloro-N-ethylsulfonyl-15'-hydroxy-7'-methoxy-12'-methyl-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-1,12-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-carboxamide;(3'R,4S,6'R,7'S,8'E,15'R)-7-chloro-15'-hydroxy-7'-methoxy-N-[2-methoxyethyl(methyl)sulfamoyl]-12'-methyl-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-1,12-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-carboxamide;(3'R,4S,6'R,7'S,8'E,15'R)-7-chloro-15'-hydroxy-7'-methoxy-12'-methyl-13'-oxo-N-pyrrolidin-1-ylsulfonylspiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-1,12-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-carboxamide is CCS(=O)(=O)NC(=O)[C@@]1(O)CC(=O)N(C)CC/C=C\[C@H](OC)[C@@H]2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc43)COc3ccc1cc32.COCCN(C)S(=O)(=O)NC(=O)[C@@]1(O)CC(=O)N(C)CC/C=C\[C@H](OC)[C@@H]2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc43)COc3ccc1cc32.CO[C@H]1/C=C\CCN(C)C(=O)C[C@](O)(C(=O)NS(=O)(=O)C(C)(C)C)c2ccc3c(c2)N(C[C@@H]2CC[C@H]21)C[C@@]1(CCCc2cc(Cl)ccc21)CO3.CO[C@H]1/C=C\CCN(C)C(=O)C[C@](O)(C(=O)NS(=O)(=O)N2CCC2)c2ccc3c(c2)N(C[C@@H]2CC[C@H]21)C[C@@]1(CCCc2cc(Cl)ccc21)CO3.CO[C@H]1/C=C\CCN(C)C(=O)C[C@](O)(C(=O)NS(=O)(=O)N2CCCC2)c2ccc3c(c2)N(C[C@@H]2CC[C@H]21)C[C@@]1(CCCc2cc(Cl)ccc21)CO3.

What is the InChIKey of (3'R,4S,6'R,7'S,8'E,15'R)-N-(azetidin-1-ylsulfonyl)-7-chloro-15'-hydroxy-7'-methoxy-12'-methyl-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-1,12-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-carboxamide;(3'R,4S,6'R,7'S,8'E,15'R)-N-tert-butylsulfonyl-7-chloro-15'-hydroxy-7'-methoxy-12'-methyl-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-1,12-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-carboxamide;(3'R,4S,6'R,7'S,8'E,15'R)-7-chloro-N-ethylsulfonyl-15'-hydroxy-7'-methoxy-12'-methyl-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-1,12-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-carboxamide;(3'R,4S,6'R,7'S,8'E,15'R)-7-chloro-15'-hydroxy-7'-methoxy-N-[2-methoxyethyl(methyl)sulfamoyl]-12'-methyl-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-1,12-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-carboxamide;(3'R,4S,6'R,7'S,8'E,15'R)-7-chloro-15'-hydroxy-7'-methoxy-12'-methyl-13'-oxo-N-pyrrolidin-1-ylsulfonylspiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-1,12-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-carboxamide?

The InChIKey is RFDNGEZSWHHCHX-MIXZMZBQSA-N. The full InChI is InChI=1S/C38H51ClN4O8S.C38H49ClN4O7S.C38H50ClN3O7S.C37H47ClN4O7S.C36H46ClN3O7S/c1-41-17-6-5-9-33(50-4)30-13-10-27(30)23-43-24-37(16-7-8-26-20-29(39)12-14-31(26)37)25-51-34-15-11-28(21-32(34)43)38(46,22-35(41)44)36(45)40-52(47,48)42(2)18-19-49-3;1-41-17-4-3-9-33(49-2)30-13-10-27(30)23-42-24-37(16-7-8-26-20-29(39)12-14-31(26)37)25-50-34-15-11-28(21-32(34)42)38(46,22-35(41)44)36(45)40-51(47,48)43-18-5-6-19-43;1-36(2,3)50(46,47)40-35(44)38(45)21-34(43)41(4)18-7-6-10-32(48-5)29-14-11-26(29)22-42-23-37(24-49-33-16-12-27(38)20-31(33)42)17-8-9-25-19-28(39)13-15-30(25)37;1-40-16-4-3-8-32(48-2)29-12-9-26(29)22-41-23-36(15-5-7-25-19-28(38)11-13-30(25)36)24-49-33-14-10-27(20-31(33)41)37(45,21-34(40)43)35(44)39-50(46,47)42-17-6-18-42;1-4-48(44,45)38-34(42)36(43)20-33(41)39(2)17-6-5-9-31(46-3)28-13-10-25(28)21-40-22-35(23-47-32-15-11-26(36)19-30(32)40)16-7-8-24-18-27(37)12-14-29(24)35/h5,9,11-12,14-15,20-21,27,30,33,46H,6-8,10,13,16-19,22-25H2,1-4H3,(H,40,45);3,9,11-12,14-15,20-21,27,30,33,46H,4-8,10,13,16-19,22-25H2,1-2H3,(H,40,45);6,10,12-13,15-16,19-20,26,29,32,45H,7-9,11,14,17-18,21-24H2,1-5H3,(H,40,44);3,8,10-11,13-14,19-20,26,29,32,45H,4-7,9,12,15-18,21-24H2,1-2H3,(H,39,44);5,9,11-12,14-15,18-19,25,28,31,43H,4,6-8,10,13,16-17,20-23H2,1-3H3,(H,38,42)/b9-5-;9-3-;10-6-;8-3-;9-5-/t2*27-,30+,33-,37-,38+;26-,29+,32-,37-,38+;26-,29+,32-,36-,37+;25-,28+,31-,35-,36+/m00000/s1.

What are the key properties of (3'R,4S,6'R,7'S,8'E,15'R)-N-(azetidin-1-ylsulfonyl)-7-chloro-15'-hydroxy-7'-methoxy-12'-methyl-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-1,12-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-carboxamide;(3'R,4S,6'R,7'S,8'E,15'R)-N-tert-butylsulfonyl-7-chloro-15'-hydroxy-7'-methoxy-12'-methyl-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-1,12-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-carboxamide;(3'R,4S,6'R,7'S,8'E,15'R)-7-chloro-N-ethylsulfonyl-15'-hydroxy-7'-methoxy-12'-methyl-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-1,12-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-carboxamide;(3'R,4S,6'R,7'S,8'E,15'R)-7-chloro-15'-hydroxy-7'-methoxy-N-[2-methoxyethyl(methyl)sulfamoyl]-12'-methyl-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-1,12-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-carboxamide;(3'R,4S,6'R,7'S,8'E,15'R)-7-chloro-15'-hydroxy-7'-methoxy-12'-methyl-13'-oxo-N-pyrrolidin-1-ylsulfonylspiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-1,12-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-carboxamide?

(3'R,4S,6'R,7'S,8'E,15'R)-N-(azetidin-1-ylsulfonyl)-7-chloro-15'-hydroxy-7'-methoxy-12'-methyl-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-1,12-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-carboxamide;(3'R,4S,6'R,7'S,8'E,15'R)-N-tert-butylsulfonyl-7-chloro-15'-hydroxy-7'-methoxy-12'-methyl-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-1,12-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-carboxamide;(3'R,4S,6'R,7'S,8'E,15'R)-7-chloro-N-ethylsulfonyl-15'-hydroxy-7'-methoxy-12'-methyl-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-1,12-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-carboxamide;(3'R,4S,6'R,7'S,8'E,15'R)-7-chloro-15'-hydroxy-7'-methoxy-N-[2-methoxyethyl(methyl)sulfamoyl]-12'-methyl-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-1,12-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-carboxamide;(3'R,4S,6'R,7'S,8'E,15'R)-7-chloro-15'-hydroxy-7'-methoxy-12'-methyl-13'-oxo-N-pyrrolidin-1-ylsulfonylspiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-1,12-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-carboxamide has a molecular weight of 3656.69 g/mol, XLogP of 21.42, 22 rotatable bonds, 10 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for (3'R,4S,6'R,7'S,8'E,15'R)-N-(azetidin-1-ylsulfonyl)-7-chloro-15'-hydroxy-7'-methoxy-12'-methyl-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-1,12-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-carboxamide;(3'R,4S,6'R,7'S,8'E,15'R)-N-tert-butylsulfonyl-7-chloro-15'-hydroxy-7'-methoxy-12'-methyl-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-1,12-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-carboxamide;(3'R,4S,6'R,7'S,8'E,15'R)-7-chloro-N-ethylsulfonyl-15'-hydroxy-7'-methoxy-12'-methyl-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-1,12-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-carboxamide;(3'R,4S,6'R,7'S,8'E,15'R)-7-chloro-15'-hydroxy-7'-methoxy-N-[2-methoxyethyl(methyl)sulfamoyl]-12'-methyl-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-1,12-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-carboxamide;(3'R,4S,6'R,7'S,8'E,15'R)-7-chloro-15'-hydroxy-7'-methoxy-12'-methyl-13'-oxo-N-pyrrolidin-1-ylsulfonylspiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-1,12-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-carboxamide is sourced from PubChem (CID 160608125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).