2-amino-N-[6-[(2,2-dichloroacetyl)-[2-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]-4-pyridinyl]amino]-2-methyl-4-oxohexan-3-yl]-3-methylpentanamide;tert-butyl N-[1-[[6-[(2,2-dichloroacetyl)-[2-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]-4-pyridinyl]amino]-2-methyl-4-oxohexan-3-yl]amino]-3-methyl-1-oxopentan-2-yl]carbamate;tert-butyl 5-[[6-[(2,2-dichloroacetyl)-[2-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]-4-pyridinyl]amino]-2-methyl-4-oxohexan-3-yl]amino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate;tert-butyl 2-[[6-[(2,2-dichloroacetyl)-[2-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]-4-pyridinyl]amino]-2-methyl-4-oxohexan-3-yl]carbamoyl]-4-hydroxypyrrolidine-1-carboxylate;tert-butyl (E)-3-[(2,2-dichloroacetyl)-[2-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]-4-pyridinyl]amino]prop-2-enoate

C156H175Cl20N23O29 — CID 159907089

IUPAC2-amino-N-[6-[(2,2-dichloroacetyl)-[2-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]-4-pyridinyl]amino]-2-methyl-4-oxohexan-3-yl]-3-methylpentanamide;tert-butyl N-[1-[[6-[(2,2-dichloroacetyl)-[2-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]-4-pyridinyl]amino]-2-methyl-4-oxohexan-3-yl]amino]-3-methyl-1-oxopentan-2-yl]carbamate;tert-butyl 5-[[6-[(2,2-dichloroacetyl)-[2-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]-4-pyridinyl]amino]-2-methyl-4-oxohexan-3-yl]amino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate;tert-butyl 2-[[6-[(2,2-dichloroacetyl)-[2-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]-4-pyridinyl]amino]-2-methyl-4-oxohexan-3-yl]carbamoyl]-4-hydroxypyrrolidine-1-carboxylate;tert-butyl (E)-3-[(2,2-dichloroacetyl)-[2-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]-4-pyridinyl]amino]prop-2-enoate
SMILESCC(C)(C)OC(=O)/C=C/N(C(=O)C(Cl)Cl)c1ccnc(-c2cc(-c3c(Cl)cccc3Cl)no2)c1.CC(C)C(NC(=O)C(CCC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)C(=O)CCN(C(=O)C(Cl)Cl)c1ccnc(-c2cc(-c3c(Cl)cccc3Cl)no2)c1.CC(C)C(NC(=O)C1CC(O)CN1C(=O)OC(C)(C)C)C(=O)CCN(C(=O)C(Cl)Cl)c1ccnc(-c2cc(-c3c(Cl)cccc3Cl)no2)c1.CCC(C)C(N)C(=O)NC(C(=O)CCN(C(=O)C(Cl)Cl)c1ccnc(-c2cc(-c3c(Cl)cccc3Cl)no2)c1)C(C)C.CCC(C)C(NC(=O)OC(C)(C)C)C(=O)NC(C(=O)CCN(C(=O)C(Cl)Cl)c1ccnc(-c2cc(-c3c(Cl)cccc3Cl)no2)c1)C(C)C
InChIInChI=1S/C37H45Cl4N5O8.C34H41Cl4N5O6.C33H37Cl4N5O7.C29H33Cl4N5O4.C23H19Cl4N3O4/c1-20(2)31(44-33(49)24(43-35(51)53-37(6,7)8)12-13-29(48)52-36(3,4)5)27(47)15-17-46(34(50)32(40)41)21-14-16-42-25(18-21)28-19-26(45-54-28)30-22(38)10-9-11-23(30)39;1-8-19(4)29(41-33(47)48-34(5,6)7)31(45)40-28(18(2)3)25(44)13-15-43(32(46)30(37)38)20-12-14-39-23(16-20)26-17-24(42-49-26)27-21(35)10-9-11-22(27)36;1-17(2)28(39-30(45)24-14-19(43)16-42(24)32(47)48-33(3,4)5)25(44)10-12-41(31(46)29(36)37)18-9-11-38-22(13-18)26-15-23(40-49-26)27-20(34)7-6-8-21(27)35;1-5-16(4)25(34)28(40)36-26(15(2)3)22(39)10-12-38(29(41)27(32)33)17-9-11-35-20(13-17)23-14-21(37-42-23)24-18(30)7-6-8-19(24)31;1-23(2,3)33-19(31)8-10-30(22(32)21(26)27)13-7-9-28-16(11-13)18-12-17(29-34-18)20-14(24)5-4-6-15(20)25/h9-11,14,16,18-20,24,31-32H,12-13,15,17H2,1-8H3,(H,43,51)(H,44,49);9-12,14,16-19,28-30H,8,13,15H2,1-7H3,(H,40,45)(H,41,47);6-9,11,13,15,17,19,24,28-29,43H,10,12,14,16H2,1-5H3,(H,39,45);6-9,11,13-16,25-27H,5,10,12,34H2,1-4H3,(H,36,40);4-12,21H,1-3H3/b;;;;10-8+
InChIKeyNWSFTHMFHIAAPB-CJFRPLIASA-N
MW3545.31 g/mol
LogP35.19
Rot. Bonds59

About 2-amino-N-[6-[(2,2-dichloroacetyl)-[2-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]-4-pyridinyl]amino]-2-methyl-4-oxohexan-3-yl]-3-methylpentanamide;tert-butyl N-[1-[[6-[(2,2-dichloroacetyl)-[2-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]-4-pyridinyl]amino]-2-methyl-4-oxohexan-3-yl]amino]-3-methyl-1-oxopentan-2-yl]carbamate;tert-butyl 5-[[6-[(2,2-dichloroacetyl)-[2-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]-4-pyridinyl]amino]-2-methyl-4-oxohexan-3-yl]amino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate;tert-butyl 2-[[6-[(2,2-dichloroacetyl)-[2-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]-4-pyridinyl]amino]-2-methyl-4-oxohexan-3-yl]carbamoyl]-4-hydroxypyrrolidine-1-carboxylate;tert-butyl (E)-3-[(2,2-dichloroacetyl)-[2-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]-4-pyridinyl]amino]prop-2-enoate

2-amino-N-[6-[(2,2-dichloroacetyl)-[2-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]-4-pyridinyl]amino]-2-methyl-4-oxohexan-3-yl]-3-methylpentanamide;tert-butyl N-[1-[[6-[(2,2-dichloroacetyl)-[2-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]-4-pyridinyl]amino]-2-methyl-4-oxohexan-3-yl]amino]-3-methyl-1-oxopentan-2-yl]carbamate;tert-butyl 5-[[6-[(2,2-dichloroacetyl)-[2-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]-4-pyridinyl]amino]-2-methyl-4-oxohexan-3-yl]amino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate;tert-butyl 2-[[6-[(2,2-dichloroacetyl)-[2-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]-4-pyridinyl]amino]-2-methyl-4-oxohexan-3-yl]carbamoyl]-4-hydroxypyrrolidine-1-carboxylate;tert-butyl (E)-3-[(2,2-dichloroacetyl)-[2-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]-4-pyridinyl]amino]prop-2-enoate (PubChem CID 159907089) has the molecular formula C156H175Cl20N23O29 and a molecular weight of 3545.31 g/mol. Its IUPAC name is 2-amino-N-[6-[(2,2-dichloroacetyl)-[2-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]-4-pyridinyl]amino]-2-methyl-4-oxohexan-3-yl]-3-methylpentanamide;tert-butyl N-[1-[[6-[(2,2-dichloroacetyl)-[2-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]-4-pyridinyl]amino]-2-methyl-4-oxohexan-3-yl]amino]-3-methyl-1-oxopentan-2-yl]carbamate;tert-butyl 5-[[6-[(2,2-dichloroacetyl)-[2-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]-4-pyridinyl]amino]-2-methyl-4-oxohexan-3-yl]amino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate;tert-butyl 2-[[6-[(2,2-dichloroacetyl)-[2-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]-4-pyridinyl]amino]-2-methyl-4-oxohexan-3-yl]carbamoyl]-4-hydroxypyrrolidine-1-carboxylate;tert-butyl (E)-3-[(2,2-dichloroacetyl)-[2-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]-4-pyridinyl]amino]prop-2-enoate.

Molecular Properties

Compound Name2-amino-N-[6-[(2,2-dichloroacetyl)-[2-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]-4-pyridinyl]amino]-2-methyl-4-oxohexan-3-yl]-3-methylpentanamide;tert-butyl N-[1-[[6-[(2,2-dichloroacetyl)-[2-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]-4-pyridinyl]amino]-2-methyl-4-oxohexan-3-yl]amino]-3-methyl-1-oxopentan-2-yl]carbamate;tert-butyl 5-[[6-[(2,2-dichloroacetyl)-[2-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]-4-pyridinyl]amino]-2-methyl-4-oxohexan-3-yl]amino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate;tert-butyl 2-[[6-[(2,2-dichloroacetyl)-[2-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]-4-pyridinyl]amino]-2-methyl-4-oxohexan-3-yl]carbamoyl]-4-hydroxypyrrolidine-1-carboxylate;tert-butyl (E)-3-[(2,2-dichloroacetyl)-[2-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]-4-pyridinyl]amino]prop-2-enoate
PubChem CID159907089
Molecular FormulaC156H175Cl20N23O29
Molecular Weight3545.31 g/mol
Exact Mass3533.67
IUPAC Name2-amino-N-[6-[(2,2-dichloroacetyl)-[2-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]-4-pyridinyl]amino]-2-methyl-4-oxohexan-3-yl]-3-methylpentanamide;tert-butyl N-[1-[[6-[(2,2-dichloroacetyl)-[2-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]-4-pyridinyl]amino]-2-methyl-4-oxohexan-3-yl]amino]-3-methyl-1-oxopentan-2-yl]carbamate;tert-butyl 5-[[6-[(2,2-dichloroacetyl)-[2-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]-4-pyridinyl]amino]-2-methyl-4-oxohexan-3-yl]amino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate;tert-butyl 2-[[6-[(2,2-dichloroacetyl)-[2-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]-4-pyridinyl]amino]-2-methyl-4-oxohexan-3-yl]carbamoyl]-4-hydroxypyrrolidine-1-carboxylate;tert-butyl (E)-3-[(2,2-dichloroacetyl)-[2-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]-4-pyridinyl]amino]prop-2-enoate
SMILESCC(C)(C)OC(=O)/C=C/N(C(=O)C(Cl)Cl)c1ccnc(-c2cc(-c3c(Cl)cccc3Cl)no2)c1.CC(C)C(NC(=O)C(CCC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)C(=O)CCN(C(=O)C(Cl)Cl)c1ccnc(-c2cc(-c3c(Cl)cccc3Cl)no2)c1.CC(C)C(NC(=O)C1CC(O)CN1C(=O)OC(C)(C)C)C(=O)CCN(C(=O)C(Cl)Cl)c1ccnc(-c2cc(-c3c(Cl)cccc3Cl)no2)c1.CCC(C)C(N)C(=O)NC(C(=O)CCN(C(=O)C(Cl)Cl)c1ccnc(-c2cc(-c3c(Cl)cccc3Cl)no2)c1)C(C)C.CCC(C)C(NC(=O)OC(C)(C)C)C(=O)NC(C(=O)CCN(C(=O)C(Cl)Cl)c1ccnc(-c2cc(-c3c(Cl)cccc3Cl)no2)c1)C(C)C
InChIInChI=1S/C37H45Cl4N5O8.C34H41Cl4N5O6.C33H37Cl4N5O7.C29H33Cl4N5O4.C23H19Cl4N3O4/c1-20(2)31(44-33(49)24(43-35(51)53-37(6,7)8)12-13-29(48)52-36(3,4)5)27(47)15-17-46(34(50)32(40)41)21-14-16-42-25(18-21)28-19-26(45-54-28)30-22(38)10-9-11-23(30)39;1-8-19(4)29(41-33(47)48-34(5,6)7)31(45)40-28(18(2)3)25(44)13-15-43(32(46)30(37)38)20-12-14-39-23(16-20)26-17-24(42-49-26)27-21(35)10-9-11-22(27)36;1-17(2)28(39-30(45)24-14-19(43)16-42(24)32(47)48-33(3,4)5)25(44)10-12-41(31(46)29(36)37)18-9-11-38-22(13-18)26-15-23(40-49-26)27-20(34)7-6-8-21(27)35;1-5-16(4)25(34)28(40)36-26(15(2)3)22(39)10-12-38(29(41)27(32)33)17-9-11-35-20(13-17)23-14-21(37-42-23)24-18(30)7-6-8-19(24)31;1-23(2,3)33-19(31)8-10-30(22(32)21(26)27)13-7-9-28-16(11-13)18-12-17(29-34-18)20-14(24)5-4-6-15(20)25/h9-11,14,16,18-20,24,31-32H,12-13,15,17H2,1-8H3,(H,43,51)(H,44,49);9-12,14,16-19,28-30H,8,13,15H2,1-7H3,(H,40,45)(H,41,47);6-9,11,13,15,17,19,24,28-29,43H,10,12,14,16H2,1-5H3,(H,39,45);6-9,11,13-16,25-27H,5,10,12,34H2,1-4H3,(H,36,40);4-12,21H,1-3H3/b;;;;10-8+
InChIKeyNWSFTHMFHIAAPB-CJFRPLIASA-N
XLogP35.19
TPSA685.88 Ų
H-Bond Donors8
H-Bond Acceptors40
Rotatable Bonds59
Heavy Atoms228
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003545.31
LogP ≤ 535.19
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-amino-N-[6-[(2,2-dichloroacetyl)-[2-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]-4-pyridinyl]amino]-2-methyl-4-oxohexan-3-yl]-3-methylpentanamide;tert-butyl N-[1-[[6-[(2,2-dichloroacetyl)-[2-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]-4-pyridinyl]amino]-2-methyl-4-oxohexan-3-yl]amino]-3-methyl-1-oxopentan-2-yl]carbamate;tert-butyl 5-[[6-[(2,2-dichloroacetyl)-[2-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]-4-pyridinyl]amino]-2-methyl-4-oxohexan-3-yl]amino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate;tert-butyl 2-[[6-[(2,2-dichloroacetyl)-[2-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]-4-pyridinyl]amino]-2-methyl-4-oxohexan-3-yl]carbamoyl]-4-hydroxypyrrolidine-1-carboxylate;tert-butyl (E)-3-[(2,2-dichloroacetyl)-[2-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]-4-pyridinyl]amino]prop-2-enoate with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[6-[(2,2-dichloroacetyl)-[2-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]-4-pyridinyl]amino]-2-methyl-4-oxohexan-3-yl]-3-methylpentanamide;tert-butyl N-[1-[[6-[(2,2-dichloroacetyl)-[2-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]-4-pyridinyl]amino]-2-methyl-4-oxohexan-3-yl]amino]-3-methyl-1-oxopentan-2-yl]carbamate;tert-butyl 5-[[6-[(2,2-dichloroacetyl)-[2-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]-4-pyridinyl]amino]-2-methyl-4-oxohexan-3-yl]amino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate;tert-butyl 2-[[6-[(2,2-dichloroacetyl)-[2-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]-4-pyridinyl]amino]-2-methyl-4-oxohexan-3-yl]carbamoyl]-4-hydroxypyrrolidine-1-carboxylate;tert-butyl (E)-3-[(2,2-dichloroacetyl)-[2-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]-4-pyridinyl]amino]prop-2-enoate?
The IUPAC name of 2-amino-N-[6-[(2,2-dichloroacetyl)-[2-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]-4-pyridinyl]amino]-2-methyl-4-oxohexan-3-yl]-3-methylpentanamide;tert-butyl N-[1-[[6-[(2,2-dichloroacetyl)-[2-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]-4-pyridinyl]amino]-2-methyl-4-oxohexan-3-yl]amino]-3-methyl-1-oxopentan-2-yl]carbamate;tert-butyl 5-[[6-[(2,2-dichloroacetyl)-[2-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]-4-pyridinyl]amino]-2-methyl-4-oxohexan-3-yl]amino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate;tert-butyl 2-[[6-[(2,2-dichloroacetyl)-[2-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]-4-pyridinyl]amino]-2-methyl-4-oxohexan-3-yl]carbamoyl]-4-hydroxypyrrolidine-1-carboxylate;tert-butyl (E)-3-[(2,2-dichloroacetyl)-[2-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]-4-pyridinyl]amino]prop-2-enoate (CID 159907089) is 2-amino-N-[6-[(2,2-dichloroacetyl)-[2-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]-4-pyridinyl]amino]-2-methyl-4-oxohexan-3-yl]-3-methylpentanamide;tert-butyl N-[1-[[6-[(2,2-dichloroacetyl)-[2-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]-4-pyridinyl]amino]-2-methyl-4-oxohexan-3-yl]amino]-3-methyl-1-oxopentan-2-yl]carbamate;tert-butyl 5-[[6-[(2,2-dichloroacetyl)-[2-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]-4-pyridinyl]amino]-2-methyl-4-oxohexan-3-yl]amino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate;tert-butyl 2-[[6-[(2,2-dichloroacetyl)-[2-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]-4-pyridinyl]amino]-2-methyl-4-oxohexan-3-yl]carbamoyl]-4-hydroxypyrrolidine-1-carboxylate;tert-butyl (E)-3-[(2,2-dichloroacetyl)-[2-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]-4-pyridinyl]amino]prop-2-enoate.
What is the SMILES notation for 2-amino-N-[6-[(2,2-dichloroacetyl)-[2-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]-4-pyridinyl]amino]-2-methyl-4-oxohexan-3-yl]-3-methylpentanamide;tert-butyl N-[1-[[6-[(2,2-dichloroacetyl)-[2-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]-4-pyridinyl]amino]-2-methyl-4-oxohexan-3-yl]amino]-3-methyl-1-oxopentan-2-yl]carbamate;tert-butyl 5-[[6-[(2,2-dichloroacetyl)-[2-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]-4-pyridinyl]amino]-2-methyl-4-oxohexan-3-yl]amino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate;tert-butyl 2-[[6-[(2,2-dichloroacetyl)-[2-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]-4-pyridinyl]amino]-2-methyl-4-oxohexan-3-yl]carbamoyl]-4-hydroxypyrrolidine-1-carboxylate;tert-butyl (E)-3-[(2,2-dichloroacetyl)-[2-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]-4-pyridinyl]amino]prop-2-enoate?
The canonical SMILES for 2-amino-N-[6-[(2,2-dichloroacetyl)-[2-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]-4-pyridinyl]amino]-2-methyl-4-oxohexan-3-yl]-3-methylpentanamide;tert-butyl N-[1-[[6-[(2,2-dichloroacetyl)-[2-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]-4-pyridinyl]amino]-2-methyl-4-oxohexan-3-yl]amino]-3-methyl-1-oxopentan-2-yl]carbamate;tert-butyl 5-[[6-[(2,2-dichloroacetyl)-[2-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]-4-pyridinyl]amino]-2-methyl-4-oxohexan-3-yl]amino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate;tert-butyl 2-[[6-[(2,2-dichloroacetyl)-[2-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]-4-pyridinyl]amino]-2-methyl-4-oxohexan-3-yl]carbamoyl]-4-hydroxypyrrolidine-1-carboxylate;tert-butyl (E)-3-[(2,2-dichloroacetyl)-[2-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]-4-pyridinyl]amino]prop-2-enoate is CC(C)(C)OC(=O)/C=C/N(C(=O)C(Cl)Cl)c1ccnc(-c2cc(-c3c(Cl)cccc3Cl)no2)c1.CC(C)C(NC(=O)C(CCC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)C(=O)CCN(C(=O)C(Cl)Cl)c1ccnc(-c2cc(-c3c(Cl)cccc3Cl)no2)c1.CC(C)C(NC(=O)C1CC(O)CN1C(=O)OC(C)(C)C)C(=O)CCN(C(=O)C(Cl)Cl)c1ccnc(-c2cc(-c3c(Cl)cccc3Cl)no2)c1.CCC(C)C(N)C(=O)NC(C(=O)CCN(C(=O)C(Cl)Cl)c1ccnc(-c2cc(-c3c(Cl)cccc3Cl)no2)c1)C(C)C.CCC(C)C(NC(=O)OC(C)(C)C)C(=O)NC(C(=O)CCN(C(=O)C(Cl)Cl)c1ccnc(-c2cc(-c3c(Cl)cccc3Cl)no2)c1)C(C)C.
What is the InChIKey of 2-amino-N-[6-[(2,2-dichloroacetyl)-[2-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]-4-pyridinyl]amino]-2-methyl-4-oxohexan-3-yl]-3-methylpentanamide;tert-butyl N-[1-[[6-[(2,2-dichloroacetyl)-[2-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]-4-pyridinyl]amino]-2-methyl-4-oxohexan-3-yl]amino]-3-methyl-1-oxopentan-2-yl]carbamate;tert-butyl 5-[[6-[(2,2-dichloroacetyl)-[2-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]-4-pyridinyl]amino]-2-methyl-4-oxohexan-3-yl]amino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate;tert-butyl 2-[[6-[(2,2-dichloroacetyl)-[2-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]-4-pyridinyl]amino]-2-methyl-4-oxohexan-3-yl]carbamoyl]-4-hydroxypyrrolidine-1-carboxylate;tert-butyl (E)-3-[(2,2-dichloroacetyl)-[2-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]-4-pyridinyl]amino]prop-2-enoate?
The InChIKey is NWSFTHMFHIAAPB-CJFRPLIASA-N. The full InChI is InChI=1S/C37H45Cl4N5O8.C34H41Cl4N5O6.C33H37Cl4N5O7.C29H33Cl4N5O4.C23H19Cl4N3O4/c1-20(2)31(44-33(49)24(43-35(51)53-37(6,7)8)12-13-29(48)52-36(3,4)5)27(47)15-17-46(34(50)32(40)41)21-14-16-42-25(18-21)28-19-26(45-54-28)30-22(38)10-9-11-23(30)39;1-8-19(4)29(41-33(47)48-34(5,6)7)31(45)40-28(18(2)3)25(44)13-15-43(32(46)30(37)38)20-12-14-39-23(16-20)26-17-24(42-49-26)27-21(35)10-9-11-22(27)36;1-17(2)28(39-30(45)24-14-19(43)16-42(24)32(47)48-33(3,4)5)25(44)10-12-41(31(46)29(36)37)18-9-11-38-22(13-18)26-15-23(40-49-26)27-20(34)7-6-8-21(27)35;1-5-16(4)25(34)28(40)36-26(15(2)3)22(39)10-12-38(29(41)27(32)33)17-9-11-35-20(13-17)23-14-21(37-42-23)24-18(30)7-6-8-19(24)31;1-23(2,3)33-19(31)8-10-30(22(32)21(26)27)13-7-9-28-16(11-13)18-12-17(29-34-18)20-14(24)5-4-6-15(20)25/h9-11,14,16,18-20,24,31-32H,12-13,15,17H2,1-8H3,(H,43,51)(H,44,49);9-12,14,16-19,28-30H,8,13,15H2,1-7H3,(H,40,45)(H,41,47);6-9,11,13,15,17,19,24,28-29,43H,10,12,14,16H2,1-5H3,(H,39,45);6-9,11,13-16,25-27H,5,10,12,34H2,1-4H3,(H,36,40);4-12,21H,1-3H3/b;;;;10-8+.
What are the key properties of 2-amino-N-[6-[(2,2-dichloroacetyl)-[2-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]-4-pyridinyl]amino]-2-methyl-4-oxohexan-3-yl]-3-methylpentanamide;tert-butyl N-[1-[[6-[(2,2-dichloroacetyl)-[2-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]-4-pyridinyl]amino]-2-methyl-4-oxohexan-3-yl]amino]-3-methyl-1-oxopentan-2-yl]carbamate;tert-butyl 5-[[6-[(2,2-dichloroacetyl)-[2-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]-4-pyridinyl]amino]-2-methyl-4-oxohexan-3-yl]amino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate;tert-butyl 2-[[6-[(2,2-dichloroacetyl)-[2-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]-4-pyridinyl]amino]-2-methyl-4-oxohexan-3-yl]carbamoyl]-4-hydroxypyrrolidine-1-carboxylate;tert-butyl (E)-3-[(2,2-dichloroacetyl)-[2-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]-4-pyridinyl]amino]prop-2-enoate?
2-amino-N-[6-[(2,2-dichloroacetyl)-[2-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]-4-pyridinyl]amino]-2-methyl-4-oxohexan-3-yl]-3-methylpentanamide;tert-butyl N-[1-[[6-[(2,2-dichloroacetyl)-[2-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]-4-pyridinyl]amino]-2-methyl-4-oxohexan-3-yl]amino]-3-methyl-1-oxopentan-2-yl]carbamate;tert-butyl 5-[[6-[(2,2-dichloroacetyl)-[2-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]-4-pyridinyl]amino]-2-methyl-4-oxohexan-3-yl]amino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate;tert-butyl 2-[[6-[(2,2-dichloroacetyl)-[2-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]-4-pyridinyl]amino]-2-methyl-4-oxohexan-3-yl]carbamoyl]-4-hydroxypyrrolidine-1-carboxylate;tert-butyl (E)-3-[(2,2-dichloroacetyl)-[2-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]-4-pyridinyl]amino]prop-2-enoate has a molecular weight of 3545.31 g/mol, XLogP of 35.19, 59 rotatable bonds, 8 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[6-[(2,2-dichloroacetyl)-[2-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]-4-pyridinyl]amino]-2-methyl-4-oxohexan-3-yl]-3-methylpentanamide;tert-butyl N-[1-[[6-[(2,2-dichloroacetyl)-[2-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]-4-pyridinyl]amino]-2-methyl-4-oxohexan-3-yl]amino]-3-methyl-1-oxopentan-2-yl]carbamate;tert-butyl 5-[[6-[(2,2-dichloroacetyl)-[2-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]-4-pyridinyl]amino]-2-methyl-4-oxohexan-3-yl]amino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate;tert-butyl 2-[[6-[(2,2-dichloroacetyl)-[2-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]-4-pyridinyl]amino]-2-methyl-4-oxohexan-3-yl]carbamoyl]-4-hydroxypyrrolidine-1-carboxylate;tert-butyl (E)-3-[(2,2-dichloroacetyl)-[2-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]-4-pyridinyl]amino]prop-2-enoate is sourced from PubChem (CID 159907089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).