(3'R,4S,6'R,7'S,8'E,14'S,15'R)-7-chloro-14'-ethyl-7',15'-dihydroxy-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'-carboxylic acid;(3'R,4S,6'R,7'S,8'E,14'R,15'R)-7-chloro-14'-ethyl-7',15'-dihydroxy-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'-carboxylic acid;(3'R,4S,6'R,7'S,8'E,14'S,15'S)-7-chloro-14'-ethyl-7',15'-dihydroxy-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'-carboxylic acid;(3'R,4S,6'R,7'S,8'E,14'R,15'S)-7-chloro-14'-ethyl-7',15'-dihydroxy-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'-carboxylic acid

C140H172Cl4N8O24 — CID 160734363

IUPAC(3'R,4S,6'R,7'S,8'E,14'S,15'R)-7-chloro-14'-ethyl-7',15'-dihydroxy-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'-carboxylic acid;(3'R,4S,6'R,7'S,8'E,14'R,15'R)-7-chloro-14'-ethyl-7',15'-dihydroxy-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'-carboxylic acid;(3'R,4S,6'R,7'S,8'E,14'S,15'S)-7-chloro-14'-ethyl-7',15'-dihydroxy-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'-carboxylic acid;(3'R,4S,6'R,7'S,8'E,14'R,15'S)-7-chloro-14'-ethyl-7',15'-dihydroxy-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'-carboxylic acid
SMILESCC[C@@H]1C(=O)N(C)CC/C=C/[C@H](O)[C@@H]2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc43)COc3ccc(cc32)[C@@]1(O)C(=O)O.CC[C@@H]1C(=O)N(C)CC/C=C/[C@H](O)[C@@H]2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc43)COc3ccc(cc32)[C@]1(O)C(=O)O.CC[C@H]1C(=O)N(C)CC/C=C/[C@H](O)[C@@H]2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc43)COc3ccc(cc32)[C@@]1(O)C(=O)O.CC[C@H]1C(=O)N(C)CC/C=C/[C@H](O)[C@@H]2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc43)COc3ccc(cc32)[C@]1(O)C(=O)O
InChIInChI=1S/4C35H43ClN2O6/c4*1-3-27-32(40)37(2)16-5-4-8-30(39)26-12-9-23(26)19-38-20-34(15-6-7-22-17-25(36)11-13-28(22)34)21-44-31-14-10-24(18-29(31)38)35(27,43)33(41)42/h4*4,8,10-11,13-14,17-18,23,26-27,30,39,43H,3,5-7,9,12,15-16,19-21H2,1-2H3,(H,41,42)/b4*8-4+/t23-,26+,27+,30-,34-,35+;23-,26+,27+,30-,34-,35-;23-,26+,27-,30-,34-,35+;23-,26+,27-,30-,34-,35-/m0000/s1
InChIKeyRUTGZROWSWJNLE-ZWEYSYOVSA-N
MW2492.76 g/mol
LogP19.67
Rot. Bonds8

About (3'R,4S,6'R,7'S,8'E,14'S,15'R)-7-chloro-14'-ethyl-7',15'-dihydroxy-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'-carboxylic acid;(3'R,4S,6'R,7'S,8'E,14'R,15'R)-7-chloro-14'-ethyl-7',15'-dihydroxy-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'-carboxylic acid;(3'R,4S,6'R,7'S,8'E,14'S,15'S)-7-chloro-14'-ethyl-7',15'-dihydroxy-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'-carboxylic acid;(3'R,4S,6'R,7'S,8'E,14'R,15'S)-7-chloro-14'-ethyl-7',15'-dihydroxy-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'-carboxylic acid

(3'R,4S,6'R,7'S,8'E,14'S,15'R)-7-chloro-14'-ethyl-7',15'-dihydroxy-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'-carboxylic acid;(3'R,4S,6'R,7'S,8'E,14'R,15'R)-7-chloro-14'-ethyl-7',15'-dihydroxy-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'-carboxylic acid;(3'R,4S,6'R,7'S,8'E,14'S,15'S)-7-chloro-14'-ethyl-7',15'-dihydroxy-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'-carboxylic acid;(3'R,4S,6'R,7'S,8'E,14'R,15'S)-7-chloro-14'-ethyl-7',15'-dihydroxy-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'-carboxylic acid (PubChem CID 160734363) has the molecular formula C140H172Cl4N8O24 and a molecular weight of 2492.76 g/mol. Its IUPAC name is (3'R,4S,6'R,7'S,8'E,14'S,15'R)-7-chloro-14'-ethyl-7',15'-dihydroxy-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'-carboxylic acid;(3'R,4S,6'R,7'S,8'E,14'R,15'R)-7-chloro-14'-ethyl-7',15'-dihydroxy-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'-carboxylic acid;(3'R,4S,6'R,7'S,8'E,14'S,15'S)-7-chloro-14'-ethyl-7',15'-dihydroxy-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'-carboxylic acid;(3'R,4S,6'R,7'S,8'E,14'R,15'S)-7-chloro-14'-ethyl-7',15'-dihydroxy-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'-carboxylic acid.

Molecular Properties

Compound Name(3'R,4S,6'R,7'S,8'E,14'S,15'R)-7-chloro-14'-ethyl-7',15'-dihydroxy-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'-carboxylic acid;(3'R,4S,6'R,7'S,8'E,14'R,15'R)-7-chloro-14'-ethyl-7',15'-dihydroxy-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'-carboxylic acid;(3'R,4S,6'R,7'S,8'E,14'S,15'S)-7-chloro-14'-ethyl-7',15'-dihydroxy-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'-carboxylic acid;(3'R,4S,6'R,7'S,8'E,14'R,15'S)-7-chloro-14'-ethyl-7',15'-dihydroxy-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'-carboxylic acid
PubChem CID160734363
Molecular FormulaC140H172Cl4N8O24
Molecular Weight2492.76 g/mol
Exact Mass2489.12
IUPAC Name(3'R,4S,6'R,7'S,8'E,14'S,15'R)-7-chloro-14'-ethyl-7',15'-dihydroxy-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'-carboxylic acid;(3'R,4S,6'R,7'S,8'E,14'R,15'R)-7-chloro-14'-ethyl-7',15'-dihydroxy-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'-carboxylic acid;(3'R,4S,6'R,7'S,8'E,14'S,15'S)-7-chloro-14'-ethyl-7',15'-dihydroxy-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'-carboxylic acid;(3'R,4S,6'R,7'S,8'E,14'R,15'S)-7-chloro-14'-ethyl-7',15'-dihydroxy-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'-carboxylic acid
SMILESCC[C@@H]1C(=O)N(C)CC/C=C/[C@H](O)[C@@H]2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc43)COc3ccc(cc32)[C@@]1(O)C(=O)O.CC[C@@H]1C(=O)N(C)CC/C=C/[C@H](O)[C@@H]2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc43)COc3ccc(cc32)[C@]1(O)C(=O)O.CC[C@H]1C(=O)N(C)CC/C=C/[C@H](O)[C@@H]2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc43)COc3ccc(cc32)[C@@]1(O)C(=O)O.CC[C@H]1C(=O)N(C)CC/C=C/[C@H](O)[C@@H]2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc43)COc3ccc(cc32)[C@]1(O)C(=O)O
InChIInChI=1S/4C35H43ClN2O6/c4*1-3-27-32(40)37(2)16-5-4-8-30(39)26-12-9-23(26)19-38-20-34(15-6-7-22-17-25(36)11-13-28(22)34)21-44-31-14-10-24(18-29(31)38)35(27,43)33(41)42/h4*4,8,10-11,13-14,17-18,23,26-27,30,39,43H,3,5-7,9,12,15-16,19-21H2,1-2H3,(H,41,42)/b4*8-4+/t23-,26+,27+,30-,34-,35+;23-,26+,27+,30-,34-,35-;23-,26+,27-,30-,34-,35+;23-,26+,27-,30-,34-,35-/m0000/s1
InChIKeyRUTGZROWSWJNLE-ZWEYSYOVSA-N
XLogP19.67
TPSA442.16 Ų
H-Bond Donors12
H-Bond Acceptors24
Rotatable Bonds8
Heavy Atoms176
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002492.76
LogP ≤ 519.67
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze (3'R,4S,6'R,7'S,8'E,14'S,15'R)-7-chloro-14'-ethyl-7',15'-dihydroxy-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'-carboxylic acid;(3'R,4S,6'R,7'S,8'E,14'R,15'R)-7-chloro-14'-ethyl-7',15'-dihydroxy-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'-carboxylic acid;(3'R,4S,6'R,7'S,8'E,14'S,15'S)-7-chloro-14'-ethyl-7',15'-dihydroxy-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'-carboxylic acid;(3'R,4S,6'R,7'S,8'E,14'R,15'S)-7-chloro-14'-ethyl-7',15'-dihydroxy-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'-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3'R,4S,6'R,7'S,8'E,14'S,15'R)-7-chloro-14'-ethyl-7',15'-dihydroxy-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'-carboxylic acid;(3'R,4S,6'R,7'S,8'E,14'R,15'R)-7-chloro-14'-ethyl-7',15'-dihydroxy-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'-carboxylic acid;(3'R,4S,6'R,7'S,8'E,14'S,15'S)-7-chloro-14'-ethyl-7',15'-dihydroxy-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'-carboxylic acid;(3'R,4S,6'R,7'S,8'E,14'R,15'S)-7-chloro-14'-ethyl-7',15'-dihydroxy-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'-carboxylic acid?
The IUPAC name of (3'R,4S,6'R,7'S,8'E,14'S,15'R)-7-chloro-14'-ethyl-7',15'-dihydroxy-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'-carboxylic acid;(3'R,4S,6'R,7'S,8'E,14'R,15'R)-7-chloro-14'-ethyl-7',15'-dihydroxy-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'-carboxylic acid;(3'R,4S,6'R,7'S,8'E,14'S,15'S)-7-chloro-14'-ethyl-7',15'-dihydroxy-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'-carboxylic acid;(3'R,4S,6'R,7'S,8'E,14'R,15'S)-7-chloro-14'-ethyl-7',15'-dihydroxy-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'-carboxylic acid (CID 160734363) is (3'R,4S,6'R,7'S,8'E,14'S,15'R)-7-chloro-14'-ethyl-7',15'-dihydroxy-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'-carboxylic acid;(3'R,4S,6'R,7'S,8'E,14'R,15'R)-7-chloro-14'-ethyl-7',15'-dihydroxy-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'-carboxylic acid;(3'R,4S,6'R,7'S,8'E,14'S,15'S)-7-chloro-14'-ethyl-7',15'-dihydroxy-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'-carboxylic acid;(3'R,4S,6'R,7'S,8'E,14'R,15'S)-7-chloro-14'-ethyl-7',15'-dihydroxy-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'-carboxylic acid.
What is the SMILES notation for (3'R,4S,6'R,7'S,8'E,14'S,15'R)-7-chloro-14'-ethyl-7',15'-dihydroxy-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'-carboxylic acid;(3'R,4S,6'R,7'S,8'E,14'R,15'R)-7-chloro-14'-ethyl-7',15'-dihydroxy-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'-carboxylic acid;(3'R,4S,6'R,7'S,8'E,14'S,15'S)-7-chloro-14'-ethyl-7',15'-dihydroxy-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'-carboxylic acid;(3'R,4S,6'R,7'S,8'E,14'R,15'S)-7-chloro-14'-ethyl-7',15'-dihydroxy-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'-carboxylic acid?
The canonical SMILES for (3'R,4S,6'R,7'S,8'E,14'S,15'R)-7-chloro-14'-ethyl-7',15'-dihydroxy-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'-carboxylic acid;(3'R,4S,6'R,7'S,8'E,14'R,15'R)-7-chloro-14'-ethyl-7',15'-dihydroxy-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'-carboxylic acid;(3'R,4S,6'R,7'S,8'E,14'S,15'S)-7-chloro-14'-ethyl-7',15'-dihydroxy-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'-carboxylic acid;(3'R,4S,6'R,7'S,8'E,14'R,15'S)-7-chloro-14'-ethyl-7',15'-dihydroxy-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'-carboxylic acid is CC[C@@H]1C(=O)N(C)CC/C=C/[C@H](O)[C@@H]2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc43)COc3ccc(cc32)[C@@]1(O)C(=O)O.CC[C@@H]1C(=O)N(C)CC/C=C/[C@H](O)[C@@H]2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc43)COc3ccc(cc32)[C@]1(O)C(=O)O.CC[C@H]1C(=O)N(C)CC/C=C/[C@H](O)[C@@H]2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc43)COc3ccc(cc32)[C@@]1(O)C(=O)O.CC[C@H]1C(=O)N(C)CC/C=C/[C@H](O)[C@@H]2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc43)COc3ccc(cc32)[C@]1(O)C(=O)O.
What is the InChIKey of (3'R,4S,6'R,7'S,8'E,14'S,15'R)-7-chloro-14'-ethyl-7',15'-dihydroxy-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'-carboxylic acid;(3'R,4S,6'R,7'S,8'E,14'R,15'R)-7-chloro-14'-ethyl-7',15'-dihydroxy-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'-carboxylic acid;(3'R,4S,6'R,7'S,8'E,14'S,15'S)-7-chloro-14'-ethyl-7',15'-dihydroxy-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'-carboxylic acid;(3'R,4S,6'R,7'S,8'E,14'R,15'S)-7-chloro-14'-ethyl-7',15'-dihydroxy-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'-carboxylic acid?
The InChIKey is RUTGZROWSWJNLE-ZWEYSYOVSA-N. The full InChI is InChI=1S/4C35H43ClN2O6/c4*1-3-27-32(40)37(2)16-5-4-8-30(39)26-12-9-23(26)19-38-20-34(15-6-7-22-17-25(36)11-13-28(22)34)21-44-31-14-10-24(18-29(31)38)35(27,43)33(41)42/h4*4,8,10-11,13-14,17-18,23,26-27,30,39,43H,3,5-7,9,12,15-16,19-21H2,1-2H3,(H,41,42)/b4*8-4+/t23-,26+,27+,30-,34-,35+;23-,26+,27+,30-,34-,35-;23-,26+,27-,30-,34-,35+;23-,26+,27-,30-,34-,35-/m0000/s1.
What are the key properties of (3'R,4S,6'R,7'S,8'E,14'S,15'R)-7-chloro-14'-ethyl-7',15'-dihydroxy-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'-carboxylic acid;(3'R,4S,6'R,7'S,8'E,14'R,15'R)-7-chloro-14'-ethyl-7',15'-dihydroxy-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'-carboxylic acid;(3'R,4S,6'R,7'S,8'E,14'S,15'S)-7-chloro-14'-ethyl-7',15'-dihydroxy-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'-carboxylic acid;(3'R,4S,6'R,7'S,8'E,14'R,15'S)-7-chloro-14'-ethyl-7',15'-dihydroxy-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'-carboxylic acid?
(3'R,4S,6'R,7'S,8'E,14'S,15'R)-7-chloro-14'-ethyl-7',15'-dihydroxy-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'-carboxylic acid;(3'R,4S,6'R,7'S,8'E,14'R,15'R)-7-chloro-14'-ethyl-7',15'-dihydroxy-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'-carboxylic acid;(3'R,4S,6'R,7'S,8'E,14'S,15'S)-7-chloro-14'-ethyl-7',15'-dihydroxy-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'-carboxylic acid;(3'R,4S,6'R,7'S,8'E,14'R,15'S)-7-chloro-14'-ethyl-7',15'-dihydroxy-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'-carboxylic acid has a molecular weight of 2492.76 g/mol, XLogP of 19.67, 8 rotatable bonds, 12 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for (3'R,4S,6'R,7'S,8'E,14'S,15'R)-7-chloro-14'-ethyl-7',15'-dihydroxy-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'-carboxylic acid;(3'R,4S,6'R,7'S,8'E,14'R,15'R)-7-chloro-14'-ethyl-7',15'-dihydroxy-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'-carboxylic acid;(3'R,4S,6'R,7'S,8'E,14'S,15'S)-7-chloro-14'-ethyl-7',15'-dihydroxy-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'-carboxylic acid;(3'R,4S,6'R,7'S,8'E,14'R,15'S)-7-chloro-14'-ethyl-7',15'-dihydroxy-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'-carboxylic acid is sourced from PubChem (CID 160734363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).