methyl N-[1-[2-[(2S)-3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-2-hydroxy-4-(4-methoxyphenyl)butyl]-2-[[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-2-hydroxy-4-(4-methoxyphenyl)butyl]-2-[(4-pyridin-3-ylphenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-2-hydroxy-4-(4-methoxyphenyl)butyl]-2-[(4-pyridin-4-ylphenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-2-hydroxy-4-[4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]phenyl]butyl]-2-benzylhydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate

C151H198N20O35S2 — CID 91260881

IUPACmethyl N-[1-[2-[(2S)-3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-2-hydroxy-4-(4-methoxyphenyl)butyl]-2-[[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-2-hydroxy-4-(4-methoxyphenyl)butyl]-2-[(4-pyridin-3-ylphenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-2-hydroxy-4-(4-methoxyphenyl)butyl]-2-[(4-pyridin-4-ylphenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-2-hydroxy-4-[4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]phenyl]butyl]-2-benzylhydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
SMILESCOC(=O)NC(C(=O)NN(Cc1ccc(-c2cccnc2)cc1)CC(O)C(Cc1ccc(OC)cc1)NC(=O)OC1COC2OCCC12)C(C)(C)C.COC(=O)NC(C(=O)NN(Cc1ccc(-c2ccncc2)cc1)CC(O)C(Cc1ccc(OC)cc1)NC(=O)OC1COC2OCCC12)C(C)(C)C.COC(=O)NC(C(=O)NN(Cc1ccc(-c2nc(C)cs2)cc1)C[C@H](O)C(Cc1ccc(OC)cc1)NC(=O)OC1COC2OCCC12)C(C)(C)C.COC(=O)NC(C(=O)NN(Cc1ccccc1)CC(O)C(Cc1ccc(CCc2csc(C)n2)cc1)NC(=O)OC1COC2OCCC12)C(C)(C)C
InChIInChI=1S/2C38H49N5O9.C38H51N5O8S.C37H49N5O9S/c1-38(2,3)33(41-36(46)49-5)34(45)42-43(21-25-6-10-26(11-7-25)27-14-17-39-18-15-27)22-31(44)30(20-24-8-12-28(48-4)13-9-24)40-37(47)52-32-23-51-35-29(32)16-19-50-35;1-38(2,3)33(41-36(46)49-5)34(45)42-43(21-25-8-12-26(13-9-25)27-7-6-17-39-20-27)22-31(44)30(19-24-10-14-28(48-4)15-11-24)40-37(47)52-32-23-51-35-29(32)16-18-50-35;1-24-39-28(23-52-24)16-15-25-11-13-26(14-12-25)19-30(40-37(47)51-32-22-50-35-29(32)17-18-49-35)31(44)21-43(20-27-9-7-6-8-10-27)42-34(45)33(38(2,3)4)41-36(46)48-5;1-22-21-52-33(38-22)25-11-7-24(8-12-25)18-42(41-32(44)31(37(2,3)4)40-35(45)48-6)19-29(43)28(17-23-9-13-26(47-5)14-10-23)39-36(46)51-30-20-50-34-27(30)15-16-49-34/h6-15,17-18,29-33,35,44H,16,19-23H2,1-5H3,(H,40,47)(H,41,46)(H,42,45);6-15,17,20,29-33,35,44H,16,18-19,21-23H2,1-5H3,(H,40,47)(H,41,46)(H,42,45);6-14,23,29-33,35,44H,15-22H2,1-5H3,(H,40,47)(H,41,46)(H,42,45);7-14,21,27-31,34,43H,15-20H2,1-6H3,(H,39,46)(H,40,45)(H,41,44)/t;;;27?,28?,29-,30?,31?,34?/m...0/s1
InChIKeyLGXVJRHQBQFLMB-AMYHNYKWSA-N
MW2917.48 g/mol
LogP16.13
Rot. Bonds57

About methyl N-[1-[2-[(2S)-3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-2-hydroxy-4-(4-methoxyphenyl)butyl]-2-[[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-2-hydroxy-4-(4-methoxyphenyl)butyl]-2-[(4-pyridin-3-ylphenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-2-hydroxy-4-(4-methoxyphenyl)butyl]-2-[(4-pyridin-4-ylphenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-2-hydroxy-4-[4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]phenyl]butyl]-2-benzylhydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate

methyl N-[1-[2-[(2S)-3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-2-hydroxy-4-(4-methoxyphenyl)butyl]-2-[[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-2-hydroxy-4-(4-methoxyphenyl)butyl]-2-[(4-pyridin-3-ylphenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-2-hydroxy-4-(4-methoxyphenyl)butyl]-2-[(4-pyridin-4-ylphenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-2-hydroxy-4-[4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]phenyl]butyl]-2-benzylhydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate (PubChem CID 91260881) has the molecular formula C151H198N20O35S2 and a molecular weight of 2917.48 g/mol. Its IUPAC name is methyl N-[1-[2-[(2S)-3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-2-hydroxy-4-(4-methoxyphenyl)butyl]-2-[[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-2-hydroxy-4-(4-methoxyphenyl)butyl]-2-[(4-pyridin-3-ylphenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-2-hydroxy-4-(4-methoxyphenyl)butyl]-2-[(4-pyridin-4-ylphenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-2-hydroxy-4-[4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]phenyl]butyl]-2-benzylhydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[1-[2-[(2S)-3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-2-hydroxy-4-(4-methoxyphenyl)butyl]-2-[[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-2-hydroxy-4-(4-methoxyphenyl)butyl]-2-[(4-pyridin-3-ylphenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-2-hydroxy-4-(4-methoxyphenyl)butyl]-2-[(4-pyridin-4-ylphenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-2-hydroxy-4-[4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]phenyl]butyl]-2-benzylhydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
PubChem CID91260881
Molecular FormulaC151H198N20O35S2
Molecular Weight2917.48 g/mol
Exact Mass2915.38
IUPAC Namemethyl N-[1-[2-[(2S)-3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-2-hydroxy-4-(4-methoxyphenyl)butyl]-2-[[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-2-hydroxy-4-(4-methoxyphenyl)butyl]-2-[(4-pyridin-3-ylphenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-2-hydroxy-4-(4-methoxyphenyl)butyl]-2-[(4-pyridin-4-ylphenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-2-hydroxy-4-[4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]phenyl]butyl]-2-benzylhydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
SMILESCOC(=O)NC(C(=O)NN(Cc1ccc(-c2cccnc2)cc1)CC(O)C(Cc1ccc(OC)cc1)NC(=O)OC1COC2OCCC12)C(C)(C)C.COC(=O)NC(C(=O)NN(Cc1ccc(-c2ccncc2)cc1)CC(O)C(Cc1ccc(OC)cc1)NC(=O)OC1COC2OCCC12)C(C)(C)C.COC(=O)NC(C(=O)NN(Cc1ccc(-c2nc(C)cs2)cc1)C[C@H](O)C(Cc1ccc(OC)cc1)NC(=O)OC1COC2OCCC12)C(C)(C)C.COC(=O)NC(C(=O)NN(Cc1ccccc1)CC(O)C(Cc1ccc(CCc2csc(C)n2)cc1)NC(=O)OC1COC2OCCC12)C(C)(C)C
InChIInChI=1S/2C38H49N5O9.C38H51N5O8S.C37H49N5O9S/c1-38(2,3)33(41-36(46)49-5)34(45)42-43(21-25-6-10-26(11-7-25)27-14-17-39-18-15-27)22-31(44)30(20-24-8-12-28(48-4)13-9-24)40-37(47)52-32-23-51-35-29(32)16-19-50-35;1-38(2,3)33(41-36(46)49-5)34(45)42-43(21-25-8-12-26(13-9-25)27-7-6-17-39-20-27)22-31(44)30(19-24-10-14-28(48-4)15-11-24)40-37(47)52-32-23-51-35-29(32)16-18-50-35;1-24-39-28(23-52-24)16-15-25-11-13-26(14-12-25)19-30(40-37(47)51-32-22-50-35-29(32)17-18-49-35)31(44)21-43(20-27-9-7-6-8-10-27)42-34(45)33(38(2,3)4)41-36(46)48-5;1-22-21-52-33(38-22)25-11-7-24(8-12-25)18-42(41-32(44)31(37(2,3)4)40-35(45)48-6)19-29(43)28(17-23-9-13-26(47-5)14-10-23)39-36(46)51-30-20-50-34-27(30)15-16-49-34/h6-15,17-18,29-33,35,44H,16,19-23H2,1-5H3,(H,40,47)(H,41,46)(H,42,45);6-15,17,20,29-33,35,44H,16,18-19,21-23H2,1-5H3,(H,40,47)(H,41,46)(H,42,45);6-14,23,29-33,35,44H,15-22H2,1-5H3,(H,40,47)(H,41,46)(H,42,45);7-14,21,27-31,34,43H,15-20H2,1-6H3,(H,39,46)(H,40,45)(H,41,44)/t;;;27?,28?,29-,30?,31?,34?/m...0/s1
InChIKeyLGXVJRHQBQFLMB-AMYHNYKWSA-N
XLogP16.13
TPSA670.01 Ų
H-Bond Donors16
H-Bond Acceptors45
Rotatable Bonds57
Heavy Atoms208
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002917.48
LogP ≤ 516.13
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1045

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze methyl N-[1-[2-[(2S)-3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-2-hydroxy-4-(4-methoxyphenyl)butyl]-2-[[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-2-hydroxy-4-(4-methoxyphenyl)butyl]-2-[(4-pyridin-3-ylphenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-2-hydroxy-4-(4-methoxyphenyl)butyl]-2-[(4-pyridin-4-ylphenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-2-hydroxy-4-[4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]phenyl]butyl]-2-benzylhydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of methyl N-[1-[2-[(2S)-3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-2-hydroxy-4-(4-methoxyphenyl)butyl]-2-[[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-2-hydroxy-4-(4-methoxyphenyl)butyl]-2-[(4-pyridin-3-ylphenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-2-hydroxy-4-(4-methoxyphenyl)butyl]-2-[(4-pyridin-4-ylphenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-2-hydroxy-4-[4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]phenyl]butyl]-2-benzylhydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate?
The IUPAC name of methyl N-[1-[2-[(2S)-3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-2-hydroxy-4-(4-methoxyphenyl)butyl]-2-[[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-2-hydroxy-4-(4-methoxyphenyl)butyl]-2-[(4-pyridin-3-ylphenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-2-hydroxy-4-(4-methoxyphenyl)butyl]-2-[(4-pyridin-4-ylphenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-2-hydroxy-4-[4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]phenyl]butyl]-2-benzylhydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate (CID 91260881) is methyl N-[1-[2-[(2S)-3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-2-hydroxy-4-(4-methoxyphenyl)butyl]-2-[[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-2-hydroxy-4-(4-methoxyphenyl)butyl]-2-[(4-pyridin-3-ylphenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-2-hydroxy-4-(4-methoxyphenyl)butyl]-2-[(4-pyridin-4-ylphenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-2-hydroxy-4-[4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]phenyl]butyl]-2-benzylhydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate.
What is the SMILES notation for methyl N-[1-[2-[(2S)-3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-2-hydroxy-4-(4-methoxyphenyl)butyl]-2-[[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-2-hydroxy-4-(4-methoxyphenyl)butyl]-2-[(4-pyridin-3-ylphenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-2-hydroxy-4-(4-methoxyphenyl)butyl]-2-[(4-pyridin-4-ylphenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-2-hydroxy-4-[4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]phenyl]butyl]-2-benzylhydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate?
The canonical SMILES for methyl N-[1-[2-[(2S)-3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-2-hydroxy-4-(4-methoxyphenyl)butyl]-2-[[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-2-hydroxy-4-(4-methoxyphenyl)butyl]-2-[(4-pyridin-3-ylphenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-2-hydroxy-4-(4-methoxyphenyl)butyl]-2-[(4-pyridin-4-ylphenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-2-hydroxy-4-[4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]phenyl]butyl]-2-benzylhydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate is COC(=O)NC(C(=O)NN(Cc1ccc(-c2cccnc2)cc1)CC(O)C(Cc1ccc(OC)cc1)NC(=O)OC1COC2OCCC12)C(C)(C)C.COC(=O)NC(C(=O)NN(Cc1ccc(-c2ccncc2)cc1)CC(O)C(Cc1ccc(OC)cc1)NC(=O)OC1COC2OCCC12)C(C)(C)C.COC(=O)NC(C(=O)NN(Cc1ccc(-c2nc(C)cs2)cc1)C[C@H](O)C(Cc1ccc(OC)cc1)NC(=O)OC1COC2OCCC12)C(C)(C)C.COC(=O)NC(C(=O)NN(Cc1ccccc1)CC(O)C(Cc1ccc(CCc2csc(C)n2)cc1)NC(=O)OC1COC2OCCC12)C(C)(C)C.
What is the InChIKey of methyl N-[1-[2-[(2S)-3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-2-hydroxy-4-(4-methoxyphenyl)butyl]-2-[[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-2-hydroxy-4-(4-methoxyphenyl)butyl]-2-[(4-pyridin-3-ylphenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-2-hydroxy-4-(4-methoxyphenyl)butyl]-2-[(4-pyridin-4-ylphenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-2-hydroxy-4-[4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]phenyl]butyl]-2-benzylhydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate?
The InChIKey is LGXVJRHQBQFLMB-AMYHNYKWSA-N. The full InChI is InChI=1S/2C38H49N5O9.C38H51N5O8S.C37H49N5O9S/c1-38(2,3)33(41-36(46)49-5)34(45)42-43(21-25-6-10-26(11-7-25)27-14-17-39-18-15-27)22-31(44)30(20-24-8-12-28(48-4)13-9-24)40-37(47)52-32-23-51-35-29(32)16-19-50-35;1-38(2,3)33(41-36(46)49-5)34(45)42-43(21-25-8-12-26(13-9-25)27-7-6-17-39-20-27)22-31(44)30(19-24-10-14-28(48-4)15-11-24)40-37(47)52-32-23-51-35-29(32)16-18-50-35;1-24-39-28(23-52-24)16-15-25-11-13-26(14-12-25)19-30(40-37(47)51-32-22-50-35-29(32)17-18-49-35)31(44)21-43(20-27-9-7-6-8-10-27)42-34(45)33(38(2,3)4)41-36(46)48-5;1-22-21-52-33(38-22)25-11-7-24(8-12-25)18-42(41-32(44)31(37(2,3)4)40-35(45)48-6)19-29(43)28(17-23-9-13-26(47-5)14-10-23)39-36(46)51-30-20-50-34-27(30)15-16-49-34/h6-15,17-18,29-33,35,44H,16,19-23H2,1-5H3,(H,40,47)(H,41,46)(H,42,45);6-15,17,20,29-33,35,44H,16,18-19,21-23H2,1-5H3,(H,40,47)(H,41,46)(H,42,45);6-14,23,29-33,35,44H,15-22H2,1-5H3,(H,40,47)(H,41,46)(H,42,45);7-14,21,27-31,34,43H,15-20H2,1-6H3,(H,39,46)(H,40,45)(H,41,44)/t;;;27?,28?,29-,30?,31?,34?/m...0/s1.
What are the key properties of methyl N-[1-[2-[(2S)-3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-2-hydroxy-4-(4-methoxyphenyl)butyl]-2-[[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-2-hydroxy-4-(4-methoxyphenyl)butyl]-2-[(4-pyridin-3-ylphenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-2-hydroxy-4-(4-methoxyphenyl)butyl]-2-[(4-pyridin-4-ylphenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-2-hydroxy-4-[4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]phenyl]butyl]-2-benzylhydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate?
methyl N-[1-[2-[(2S)-3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-2-hydroxy-4-(4-methoxyphenyl)butyl]-2-[[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-2-hydroxy-4-(4-methoxyphenyl)butyl]-2-[(4-pyridin-3-ylphenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-2-hydroxy-4-(4-methoxyphenyl)butyl]-2-[(4-pyridin-4-ylphenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-2-hydroxy-4-[4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]phenyl]butyl]-2-benzylhydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate has a molecular weight of 2917.48 g/mol, XLogP of 16.13, 57 rotatable bonds, 16 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-[2-[(2S)-3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-2-hydroxy-4-(4-methoxyphenyl)butyl]-2-[[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-2-hydroxy-4-(4-methoxyphenyl)butyl]-2-[(4-pyridin-3-ylphenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-2-hydroxy-4-(4-methoxyphenyl)butyl]-2-[(4-pyridin-4-ylphenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-2-hydroxy-4-[4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]phenyl]butyl]-2-benzylhydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 91260881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).