tert-butyl (4S)-5-amino-4-[6-[2-[(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)oxy]ethyl]-3-oxo-1H-isoindol-2-yl]-5-oxopentanoate;tert-butyl (4S)-5-amino-4-[6-[2-[1-[3-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]propyl]piperidin-3-yl]oxyethyl]-3-oxo-1H-isoindol-2-yl]-5-oxopentanoate;tert-butyl (4S)-5-amino-5-oxo-4-[3-oxo-6-(2-piperidin-3-yloxyethyl)-1H-isoindol-2-yl]pentanoate;3-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]propanal;(3S)-3-[6-[2-[1-[3-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]propyl]piperidin-3-yl]oxyethyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;methane

C176H214N12O26 — CID 157237997

IUPACtert-butyl (4S)-5-amino-4-[6-[2-[(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)oxy]ethyl]-3-oxo-1H-isoindol-2-yl]-5-oxopentanoate;tert-butyl (4S)-5-amino-4-[6-[2-[1-[3-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]propyl]piperidin-3-yl]oxyethyl]-3-oxo-1H-isoindol-2-yl]-5-oxopentanoate;tert-butyl (4S)-5-amino-5-oxo-4-[3-oxo-6-(2-piperidin-3-yloxyethyl)-1H-isoindol-2-yl]pentanoate;3-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]propanal;(3S)-3-[6-[2-[1-[3-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]propyl]piperidin-3-yl]oxyethyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;methane
SMILESC.C.CC(C)(C)OC(=O)CC[C@@H](C(N)=O)N1Cc2cc(CCOC3=CCCN(Cc4ccccc4)C3)ccc2C1=O.CC(C)(C)OC(=O)CC[C@@H](C(N)=O)N1Cc2cc(CCOC3CCCN(CCCOc4ccc([C@@H]5c6ccc(O)cc6CC[C@@H]5c5ccccc5)cc4)C3)ccc2C1=O.CC(C)(C)OC(=O)CC[C@@H](C(N)=O)N1Cc2cc(CCOC3CCCNC3)ccc2C1=O.O=C1CC[C@H](N2Cc3cc(CCOC4CCCN(CCCOc5ccc([C@@H]6c7ccc(O)cc7CC[C@@H]6c6ccccc6)cc5)C4)ccc3C2=O)C(=O)N1.O=CCCOc1ccc([C@@H]2c3ccc(O)cc3CC[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C49H59N3O7.C45H49N3O6.C31H39N3O5.C25H24O3.C24H35N3O5.2CH4/c1-49(2,3)59-45(54)23-22-44(47(50)55)52-31-37-29-33(12-19-43(37)48(52)56)24-28-58-40-11-7-25-51(32-40)26-8-27-57-39-17-13-35(14-18-39)46-41(34-9-5-4-6-10-34)20-15-36-30-38(53)16-21-42(36)46;49-35-13-18-39-33(27-35)12-17-38(31-6-2-1-3-7-31)43(39)32-10-14-36(15-11-32)53-24-5-23-47-22-4-8-37(29-47)54-25-21-30-9-16-40-34(26-30)28-48(45(40)52)41-19-20-42(50)46-44(41)51;1-31(2,3)39-28(35)14-13-27(29(32)36)34-20-24-18-22(11-12-26(24)30(34)37)15-17-38-25-10-7-16-33(21-25)19-23-8-5-4-6-9-23;26-15-4-16-28-22-11-7-19(8-12-22)25-23(18-5-2-1-3-6-18)13-9-20-17-21(27)10-14-24(20)25;1-24(2,3)32-21(28)9-8-20(22(25)29)27-15-17-13-16(6-7-19(17)23(27)30)10-12-31-18-5-4-11-26-14-18;;/h4-6,9-10,12-14,16-19,21,29-30,40-41,44,46,53H,7-8,11,15,20,22-28,31-32H2,1-3H3,(H2,50,55);1-3,6-7,9-11,13-16,18,26-27,37-38,41,43,49H,4-5,8,12,17,19-25,28-29H2,(H,46,50,51);4-6,8-12,18,27H,7,13-17,19-21H2,1-3H3,(H2,32,36);1-3,5-8,10-12,14-15,17,23,25,27H,4,9,13,16H2;6-7,13,18,20,26H,4-5,8-12,14-15H2,1-3H3,(H2,25,29);2*1H4/t40?,41-,44+,46+;37?,38-,41+,43+;27-;23-,25+;18?,20-;;/m11010../s1
InChIKeyAUWGVRHZNAPPDQ-ILXOFYRXSA-N
MW2913.71 g/mol
LogP26.58
Rot. Bonds54

About tert-butyl (4S)-5-amino-4-[6-[2-[(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)oxy]ethyl]-3-oxo-1H-isoindol-2-yl]-5-oxopentanoate;tert-butyl (4S)-5-amino-4-[6-[2-[1-[3-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]propyl]piperidin-3-yl]oxyethyl]-3-oxo-1H-isoindol-2-yl]-5-oxopentanoate;tert-butyl (4S)-5-amino-5-oxo-4-[3-oxo-6-(2-piperidin-3-yloxyethyl)-1H-isoindol-2-yl]pentanoate;3-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]propanal;(3S)-3-[6-[2-[1-[3-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]propyl]piperidin-3-yl]oxyethyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;methane

tert-butyl (4S)-5-amino-4-[6-[2-[(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)oxy]ethyl]-3-oxo-1H-isoindol-2-yl]-5-oxopentanoate;tert-butyl (4S)-5-amino-4-[6-[2-[1-[3-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]propyl]piperidin-3-yl]oxyethyl]-3-oxo-1H-isoindol-2-yl]-5-oxopentanoate;tert-butyl (4S)-5-amino-5-oxo-4-[3-oxo-6-(2-piperidin-3-yloxyethyl)-1H-isoindol-2-yl]pentanoate;3-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]propanal;(3S)-3-[6-[2-[1-[3-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]propyl]piperidin-3-yl]oxyethyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;methane (PubChem CID 157237997) has the molecular formula C176H214N12O26 and a molecular weight of 2913.71 g/mol. Its IUPAC name is tert-butyl (4S)-5-amino-4-[6-[2-[(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)oxy]ethyl]-3-oxo-1H-isoindol-2-yl]-5-oxopentanoate;tert-butyl (4S)-5-amino-4-[6-[2-[1-[3-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]propyl]piperidin-3-yl]oxyethyl]-3-oxo-1H-isoindol-2-yl]-5-oxopentanoate;tert-butyl (4S)-5-amino-5-oxo-4-[3-oxo-6-(2-piperidin-3-yloxyethyl)-1H-isoindol-2-yl]pentanoate;3-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]propanal;(3S)-3-[6-[2-[1-[3-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]propyl]piperidin-3-yl]oxyethyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;methane.

Molecular Properties

Compound Nametert-butyl (4S)-5-amino-4-[6-[2-[(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)oxy]ethyl]-3-oxo-1H-isoindol-2-yl]-5-oxopentanoate;tert-butyl (4S)-5-amino-4-[6-[2-[1-[3-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]propyl]piperidin-3-yl]oxyethyl]-3-oxo-1H-isoindol-2-yl]-5-oxopentanoate;tert-butyl (4S)-5-amino-5-oxo-4-[3-oxo-6-(2-piperidin-3-yloxyethyl)-1H-isoindol-2-yl]pentanoate;3-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]propanal;(3S)-3-[6-[2-[1-[3-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]propyl]piperidin-3-yl]oxyethyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;methane
PubChem CID157237997
Molecular FormulaC176H214N12O26
Molecular Weight2913.71 g/mol
Exact Mass2911.58
IUPAC Nametert-butyl (4S)-5-amino-4-[6-[2-[(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)oxy]ethyl]-3-oxo-1H-isoindol-2-yl]-5-oxopentanoate;tert-butyl (4S)-5-amino-4-[6-[2-[1-[3-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]propyl]piperidin-3-yl]oxyethyl]-3-oxo-1H-isoindol-2-yl]-5-oxopentanoate;tert-butyl (4S)-5-amino-5-oxo-4-[3-oxo-6-(2-piperidin-3-yloxyethyl)-1H-isoindol-2-yl]pentanoate;3-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]propanal;(3S)-3-[6-[2-[1-[3-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]propyl]piperidin-3-yl]oxyethyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;methane
SMILESC.C.CC(C)(C)OC(=O)CC[C@@H](C(N)=O)N1Cc2cc(CCOC3=CCCN(Cc4ccccc4)C3)ccc2C1=O.CC(C)(C)OC(=O)CC[C@@H](C(N)=O)N1Cc2cc(CCOC3CCCN(CCCOc4ccc([C@@H]5c6ccc(O)cc6CC[C@@H]5c5ccccc5)cc4)C3)ccc2C1=O.CC(C)(C)OC(=O)CC[C@@H](C(N)=O)N1Cc2cc(CCOC3CCCNC3)ccc2C1=O.O=C1CC[C@H](N2Cc3cc(CCOC4CCCN(CCCOc5ccc([C@@H]6c7ccc(O)cc7CC[C@@H]6c6ccccc6)cc5)C4)ccc3C2=O)C(=O)N1.O=CCCOc1ccc([C@@H]2c3ccc(O)cc3CC[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C49H59N3O7.C45H49N3O6.C31H39N3O5.C25H24O3.C24H35N3O5.2CH4/c1-49(2,3)59-45(54)23-22-44(47(50)55)52-31-37-29-33(12-19-43(37)48(52)56)24-28-58-40-11-7-25-51(32-40)26-8-27-57-39-17-13-35(14-18-39)46-41(34-9-5-4-6-10-34)20-15-36-30-38(53)16-21-42(36)46;49-35-13-18-39-33(27-35)12-17-38(31-6-2-1-3-7-31)43(39)32-10-14-36(15-11-32)53-24-5-23-47-22-4-8-37(29-47)54-25-21-30-9-16-40-34(26-30)28-48(45(40)52)41-19-20-42(50)46-44(41)51;1-31(2,3)39-28(35)14-13-27(29(32)36)34-20-24-18-22(11-12-26(24)30(34)37)15-17-38-25-10-7-16-33(21-25)19-23-8-5-4-6-9-23;26-15-4-16-28-22-11-7-19(8-12-22)25-23(18-5-2-1-3-6-18)13-9-20-17-21(27)10-14-24(20)25;1-24(2,3)32-21(28)9-8-20(22(25)29)27-15-17-13-16(6-7-19(17)23(27)30)10-12-31-18-5-4-11-26-14-18;;/h4-6,9-10,12-14,16-19,21,29-30,40-41,44,46,53H,7-8,11,15,20,22-28,31-32H2,1-3H3,(H2,50,55);1-3,6-7,9-11,13-16,18,26-27,37-38,41,43,49H,4-5,8,12,17,19-25,28-29H2,(H,46,50,51);4-6,8-12,18,27H,7,13-17,19-21H2,1-3H3,(H2,32,36);1-3,5-8,10-12,14-15,17,23,25,27H,4,9,13,16H2;6-7,13,18,20,26H,4-5,8-12,14-15H2,1-3H3,(H2,25,29);2*1H4/t40?,41-,44+,46+;37?,38-,41+,43+;27-;23-,25+;18?,20-;;/m11010../s1
InChIKeyAUWGVRHZNAPPDQ-ILXOFYRXSA-N
XLogP26.58
TPSA499.70 Ų
H-Bond Donors8
H-Bond Acceptors30
Rotatable Bonds54
Heavy Atoms214
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002913.71
LogP ≤ 526.58
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

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

Analyze tert-butyl (4S)-5-amino-4-[6-[2-[(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)oxy]ethyl]-3-oxo-1H-isoindol-2-yl]-5-oxopentanoate;tert-butyl (4S)-5-amino-4-[6-[2-[1-[3-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]propyl]piperidin-3-yl]oxyethyl]-3-oxo-1H-isoindol-2-yl]-5-oxopentanoate;tert-butyl (4S)-5-amino-5-oxo-4-[3-oxo-6-(2-piperidin-3-yloxyethyl)-1H-isoindol-2-yl]pentanoate;3-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]propanal;(3S)-3-[6-[2-[1-[3-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]propyl]piperidin-3-yl]oxyethyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (4S)-5-amino-4-[6-[2-[(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)oxy]ethyl]-3-oxo-1H-isoindol-2-yl]-5-oxopentanoate;tert-butyl (4S)-5-amino-4-[6-[2-[1-[3-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]propyl]piperidin-3-yl]oxyethyl]-3-oxo-1H-isoindol-2-yl]-5-oxopentanoate;tert-butyl (4S)-5-amino-5-oxo-4-[3-oxo-6-(2-piperidin-3-yloxyethyl)-1H-isoindol-2-yl]pentanoate;3-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]propanal;(3S)-3-[6-[2-[1-[3-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]propyl]piperidin-3-yl]oxyethyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;methane?
The IUPAC name of tert-butyl (4S)-5-amino-4-[6-[2-[(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)oxy]ethyl]-3-oxo-1H-isoindol-2-yl]-5-oxopentanoate;tert-butyl (4S)-5-amino-4-[6-[2-[1-[3-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]propyl]piperidin-3-yl]oxyethyl]-3-oxo-1H-isoindol-2-yl]-5-oxopentanoate;tert-butyl (4S)-5-amino-5-oxo-4-[3-oxo-6-(2-piperidin-3-yloxyethyl)-1H-isoindol-2-yl]pentanoate;3-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]propanal;(3S)-3-[6-[2-[1-[3-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]propyl]piperidin-3-yl]oxyethyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;methane (CID 157237997) is tert-butyl (4S)-5-amino-4-[6-[2-[(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)oxy]ethyl]-3-oxo-1H-isoindol-2-yl]-5-oxopentanoate;tert-butyl (4S)-5-amino-4-[6-[2-[1-[3-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]propyl]piperidin-3-yl]oxyethyl]-3-oxo-1H-isoindol-2-yl]-5-oxopentanoate;tert-butyl (4S)-5-amino-5-oxo-4-[3-oxo-6-(2-piperidin-3-yloxyethyl)-1H-isoindol-2-yl]pentanoate;3-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]propanal;(3S)-3-[6-[2-[1-[3-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]propyl]piperidin-3-yl]oxyethyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;methane.
What is the SMILES notation for tert-butyl (4S)-5-amino-4-[6-[2-[(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)oxy]ethyl]-3-oxo-1H-isoindol-2-yl]-5-oxopentanoate;tert-butyl (4S)-5-amino-4-[6-[2-[1-[3-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]propyl]piperidin-3-yl]oxyethyl]-3-oxo-1H-isoindol-2-yl]-5-oxopentanoate;tert-butyl (4S)-5-amino-5-oxo-4-[3-oxo-6-(2-piperidin-3-yloxyethyl)-1H-isoindol-2-yl]pentanoate;3-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]propanal;(3S)-3-[6-[2-[1-[3-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]propyl]piperidin-3-yl]oxyethyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;methane?
The canonical SMILES for tert-butyl (4S)-5-amino-4-[6-[2-[(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)oxy]ethyl]-3-oxo-1H-isoindol-2-yl]-5-oxopentanoate;tert-butyl (4S)-5-amino-4-[6-[2-[1-[3-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]propyl]piperidin-3-yl]oxyethyl]-3-oxo-1H-isoindol-2-yl]-5-oxopentanoate;tert-butyl (4S)-5-amino-5-oxo-4-[3-oxo-6-(2-piperidin-3-yloxyethyl)-1H-isoindol-2-yl]pentanoate;3-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]propanal;(3S)-3-[6-[2-[1-[3-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]propyl]piperidin-3-yl]oxyethyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;methane is C.C.CC(C)(C)OC(=O)CC[C@@H](C(N)=O)N1Cc2cc(CCOC3=CCCN(Cc4ccccc4)C3)ccc2C1=O.CC(C)(C)OC(=O)CC[C@@H](C(N)=O)N1Cc2cc(CCOC3CCCN(CCCOc4ccc([C@@H]5c6ccc(O)cc6CC[C@@H]5c5ccccc5)cc4)C3)ccc2C1=O.CC(C)(C)OC(=O)CC[C@@H](C(N)=O)N1Cc2cc(CCOC3CCCNC3)ccc2C1=O.O=C1CC[C@H](N2Cc3cc(CCOC4CCCN(CCCOc5ccc([C@@H]6c7ccc(O)cc7CC[C@@H]6c6ccccc6)cc5)C4)ccc3C2=O)C(=O)N1.O=CCCOc1ccc([C@@H]2c3ccc(O)cc3CC[C@@H]2c2ccccc2)cc1.
What is the InChIKey of tert-butyl (4S)-5-amino-4-[6-[2-[(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)oxy]ethyl]-3-oxo-1H-isoindol-2-yl]-5-oxopentanoate;tert-butyl (4S)-5-amino-4-[6-[2-[1-[3-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]propyl]piperidin-3-yl]oxyethyl]-3-oxo-1H-isoindol-2-yl]-5-oxopentanoate;tert-butyl (4S)-5-amino-5-oxo-4-[3-oxo-6-(2-piperidin-3-yloxyethyl)-1H-isoindol-2-yl]pentanoate;3-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]propanal;(3S)-3-[6-[2-[1-[3-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]propyl]piperidin-3-yl]oxyethyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;methane?
The InChIKey is AUWGVRHZNAPPDQ-ILXOFYRXSA-N. The full InChI is InChI=1S/C49H59N3O7.C45H49N3O6.C31H39N3O5.C25H24O3.C24H35N3O5.2CH4/c1-49(2,3)59-45(54)23-22-44(47(50)55)52-31-37-29-33(12-19-43(37)48(52)56)24-28-58-40-11-7-25-51(32-40)26-8-27-57-39-17-13-35(14-18-39)46-41(34-9-5-4-6-10-34)20-15-36-30-38(53)16-21-42(36)46;49-35-13-18-39-33(27-35)12-17-38(31-6-2-1-3-7-31)43(39)32-10-14-36(15-11-32)53-24-5-23-47-22-4-8-37(29-47)54-25-21-30-9-16-40-34(26-30)28-48(45(40)52)41-19-20-42(50)46-44(41)51;1-31(2,3)39-28(35)14-13-27(29(32)36)34-20-24-18-22(11-12-26(24)30(34)37)15-17-38-25-10-7-16-33(21-25)19-23-8-5-4-6-9-23;26-15-4-16-28-22-11-7-19(8-12-22)25-23(18-5-2-1-3-6-18)13-9-20-17-21(27)10-14-24(20)25;1-24(2,3)32-21(28)9-8-20(22(25)29)27-15-17-13-16(6-7-19(17)23(27)30)10-12-31-18-5-4-11-26-14-18;;/h4-6,9-10,12-14,16-19,21,29-30,40-41,44,46,53H,7-8,11,15,20,22-28,31-32H2,1-3H3,(H2,50,55);1-3,6-7,9-11,13-16,18,26-27,37-38,41,43,49H,4-5,8,12,17,19-25,28-29H2,(H,46,50,51);4-6,8-12,18,27H,7,13-17,19-21H2,1-3H3,(H2,32,36);1-3,5-8,10-12,14-15,17,23,25,27H,4,9,13,16H2;6-7,13,18,20,26H,4-5,8-12,14-15H2,1-3H3,(H2,25,29);2*1H4/t40?,41-,44+,46+;37?,38-,41+,43+;27-;23-,25+;18?,20-;;/m11010../s1.
What are the key properties of tert-butyl (4S)-5-amino-4-[6-[2-[(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)oxy]ethyl]-3-oxo-1H-isoindol-2-yl]-5-oxopentanoate;tert-butyl (4S)-5-amino-4-[6-[2-[1-[3-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]propyl]piperidin-3-yl]oxyethyl]-3-oxo-1H-isoindol-2-yl]-5-oxopentanoate;tert-butyl (4S)-5-amino-5-oxo-4-[3-oxo-6-(2-piperidin-3-yloxyethyl)-1H-isoindol-2-yl]pentanoate;3-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]propanal;(3S)-3-[6-[2-[1-[3-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]propyl]piperidin-3-yl]oxyethyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;methane?
tert-butyl (4S)-5-amino-4-[6-[2-[(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)oxy]ethyl]-3-oxo-1H-isoindol-2-yl]-5-oxopentanoate;tert-butyl (4S)-5-amino-4-[6-[2-[1-[3-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]propyl]piperidin-3-yl]oxyethyl]-3-oxo-1H-isoindol-2-yl]-5-oxopentanoate;tert-butyl (4S)-5-amino-5-oxo-4-[3-oxo-6-(2-piperidin-3-yloxyethyl)-1H-isoindol-2-yl]pentanoate;3-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]propanal;(3S)-3-[6-[2-[1-[3-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]propyl]piperidin-3-yl]oxyethyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;methane has a molecular weight of 2913.71 g/mol, XLogP of 26.58, 54 rotatable bonds, 8 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4S)-5-amino-4-[6-[2-[(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)oxy]ethyl]-3-oxo-1H-isoindol-2-yl]-5-oxopentanoate;tert-butyl (4S)-5-amino-4-[6-[2-[1-[3-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]propyl]piperidin-3-yl]oxyethyl]-3-oxo-1H-isoindol-2-yl]-5-oxopentanoate;tert-butyl (4S)-5-amino-5-oxo-4-[3-oxo-6-(2-piperidin-3-yloxyethyl)-1H-isoindol-2-yl]pentanoate;3-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]propanal;(3S)-3-[6-[2-[1-[3-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]propyl]piperidin-3-yl]oxyethyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;methane is sourced from PubChem (CID 157237997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).