1,3-thiazol-5-ylmethyl N-[10-amino-5-methyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxodecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-8-[[cyclopropyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-9-[(2-methylpropan-2-yl)oxy]-7-oxo-1-phenyldecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-8-[[cyclopropyl(1,3-thiazol-5-ylmethyl)carbamoyl]amino]-9-hydroxy-7-oxo-1-phenylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-8-[[cyclopropyl(1,3-thiazol-5-ylmethyl)carbamoyl]amino]-9-[(2-methylpropan-2-yl)oxy]-7-oxo-1-phenylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[8-[[cyclopropyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-5-methyl-10-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxodecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[10-(dimethylamino)-5-methyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxodecan-2-yl]carbamate

C201H281N33O29S12 — CID 159084510

IUPAC1,3-thiazol-5-ylmethyl N-[10-amino-5-methyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxodecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-8-[[cyclopropyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-9-[(2-methylpropan-2-yl)oxy]-7-oxo-1-phenyldecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-8-[[cyclopropyl(1,3-thiazol-5-ylmethyl)carbamoyl]amino]-9-hydroxy-7-oxo-1-phenylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-8-[[cyclopropyl(1,3-thiazol-5-ylmethyl)carbamoyl]amino]-9-[(2-methylpropan-2-yl)oxy]-7-oxo-1-phenylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[8-[[cyclopropyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-5-methyl-10-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxodecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[10-(dimethylamino)-5-methyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxodecan-2-yl]carbamate
SMILESCC(C)(C)OCC(NC(=O)N(Cc1cncs1)C1CC1)C(=O)CC(CCC(Cc1ccccc1)NC(=O)OCc1cncs1)Cc1ccccc1.CC(C)c1nc(CN(C(=O)NC(C(=O)CC(CCC(Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)C(C)OC(C)(C)C)C2CC2)cs1.CC(CCC(C)NC(=O)OCc1cncs1)CC(=O)C(CCN(C)C)NC(=O)N(C)Cc1csc(C(C)C)n1.CC(CCC(C)NC(=O)OCc1cncs1)CC(=O)C(CCN)NC(=O)N(C)Cc1csc(C(C)C)n1.CC(CCC(C)NC(=O)OCc1cncs1)CC(=O)C(CCNC(=O)OC(C)(C)C)NC(=O)N(Cc1csc(C(C)C)n1)C1CC1.O=C(NC(CCC(CC(=O)C(CO)NC(=O)N(Cc1cncs1)C1CC1)Cc1ccccc1)Cc1ccccc1)OCc1cncs1
InChIInChI=1S/C43H57N5O5S2.C39H49N5O5S2.C35H41N5O5S2.C32H50N6O6S2.C27H44N6O4S2.C25H40N6O4S2/c1-29(2)40-45-35(27-54-40)25-48(36-19-20-36)41(50)47-39(30(3)53-43(4,5)6)38(49)23-33(21-31-13-9-7-10-14-31)17-18-34(22-32-15-11-8-12-16-32)46-42(51)52-26-37-24-44-28-55-37;1-39(2,3)49-25-35(43-37(46)44(32-16-17-32)23-33-21-40-26-50-33)36(45)20-30(18-28-10-6-4-7-11-28)14-15-31(19-29-12-8-5-9-13-29)42-38(47)48-24-34-22-41-27-51-34;41-21-32(39-34(43)40(29-13-14-29)20-30-18-36-23-46-30)33(42)17-27(15-25-7-3-1-4-8-25)11-12-28(16-26-9-5-2-6-10-26)38-35(44)45-22-31-19-37-24-47-31;1-20(2)28-36-23(18-45-28)16-38(24-10-11-24)29(40)37-26(12-13-34-30(41)44-32(5,6)7)27(39)14-21(3)8-9-22(4)35-31(42)43-17-25-15-33-19-46-25;1-18(2)25-30-21(16-38-25)14-33(7)26(35)31-23(10-11-32(5)6)24(34)12-19(3)8-9-20(4)29-27(36)37-15-22-13-28-17-39-22;1-16(2)23-29-19(14-36-23)12-31(5)24(33)30-21(8-9-26)22(32)10-17(3)6-7-18(4)28-25(34)35-13-20-11-27-15-37-20/h7-16,24,27-30,33-34,36,39H,17-23,25-26H2,1-6H3,(H,46,51)(H,47,50);4-13,21-22,26-27,30-32,35H,14-20,23-25H2,1-3H3,(H,42,47)(H,43,46);1-10,18-19,23-24,27-29,32,41H,11-17,20-22H2,(H,38,44)(H,39,43);15,18-22,24,26H,8-14,16-17H2,1-7H3,(H,34,41)(H,35,42)(H,37,40);13,16-20,23H,8-12,14-15H2,1-7H3,(H,29,36)(H,31,35);11,14-18,21H,6-10,12-13,26H2,1-5H3,(H,28,34)(H,30,33)
InChIKeyKBGXCXQCZLMNHK-UHFFFAOYSA-N
MW4008.46 g/mol
LogP37.99
Rot. Bonds105

About 1,3-thiazol-5-ylmethyl N-[10-amino-5-methyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxodecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-8-[[cyclopropyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-9-[(2-methylpropan-2-yl)oxy]-7-oxo-1-phenyldecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-8-[[cyclopropyl(1,3-thiazol-5-ylmethyl)carbamoyl]amino]-9-hydroxy-7-oxo-1-phenylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-8-[[cyclopropyl(1,3-thiazol-5-ylmethyl)carbamoyl]amino]-9-[(2-methylpropan-2-yl)oxy]-7-oxo-1-phenylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[8-[[cyclopropyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-5-methyl-10-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxodecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[10-(dimethylamino)-5-methyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxodecan-2-yl]carbamate

1,3-thiazol-5-ylmethyl N-[10-amino-5-methyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxodecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-8-[[cyclopropyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-9-[(2-methylpropan-2-yl)oxy]-7-oxo-1-phenyldecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-8-[[cyclopropyl(1,3-thiazol-5-ylmethyl)carbamoyl]amino]-9-hydroxy-7-oxo-1-phenylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-8-[[cyclopropyl(1,3-thiazol-5-ylmethyl)carbamoyl]amino]-9-[(2-methylpropan-2-yl)oxy]-7-oxo-1-phenylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[8-[[cyclopropyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-5-methyl-10-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxodecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[10-(dimethylamino)-5-methyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxodecan-2-yl]carbamate (PubChem CID 159084510) has the molecular formula C201H281N33O29S12 and a molecular weight of 4008.46 g/mol. Its IUPAC name is 1,3-thiazol-5-ylmethyl N-[10-amino-5-methyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxodecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-8-[[cyclopropyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-9-[(2-methylpropan-2-yl)oxy]-7-oxo-1-phenyldecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-8-[[cyclopropyl(1,3-thiazol-5-ylmethyl)carbamoyl]amino]-9-hydroxy-7-oxo-1-phenylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-8-[[cyclopropyl(1,3-thiazol-5-ylmethyl)carbamoyl]amino]-9-[(2-methylpropan-2-yl)oxy]-7-oxo-1-phenylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[8-[[cyclopropyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-5-methyl-10-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxodecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[10-(dimethylamino)-5-methyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxodecan-2-yl]carbamate.

Molecular Properties

Compound Name1,3-thiazol-5-ylmethyl N-[10-amino-5-methyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxodecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-8-[[cyclopropyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-9-[(2-methylpropan-2-yl)oxy]-7-oxo-1-phenyldecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-8-[[cyclopropyl(1,3-thiazol-5-ylmethyl)carbamoyl]amino]-9-hydroxy-7-oxo-1-phenylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-8-[[cyclopropyl(1,3-thiazol-5-ylmethyl)carbamoyl]amino]-9-[(2-methylpropan-2-yl)oxy]-7-oxo-1-phenylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[8-[[cyclopropyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-5-methyl-10-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxodecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[10-(dimethylamino)-5-methyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxodecan-2-yl]carbamate
PubChem CID159084510
Molecular FormulaC201H281N33O29S12
Molecular Weight4008.46 g/mol
Exact Mass4004.82
IUPAC Name1,3-thiazol-5-ylmethyl N-[10-amino-5-methyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxodecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-8-[[cyclopropyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-9-[(2-methylpropan-2-yl)oxy]-7-oxo-1-phenyldecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-8-[[cyclopropyl(1,3-thiazol-5-ylmethyl)carbamoyl]amino]-9-hydroxy-7-oxo-1-phenylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-8-[[cyclopropyl(1,3-thiazol-5-ylmethyl)carbamoyl]amino]-9-[(2-methylpropan-2-yl)oxy]-7-oxo-1-phenylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[8-[[cyclopropyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-5-methyl-10-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxodecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[10-(dimethylamino)-5-methyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxodecan-2-yl]carbamate
SMILESCC(C)(C)OCC(NC(=O)N(Cc1cncs1)C1CC1)C(=O)CC(CCC(Cc1ccccc1)NC(=O)OCc1cncs1)Cc1ccccc1.CC(C)c1nc(CN(C(=O)NC(C(=O)CC(CCC(Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)C(C)OC(C)(C)C)C2CC2)cs1.CC(CCC(C)NC(=O)OCc1cncs1)CC(=O)C(CCN(C)C)NC(=O)N(C)Cc1csc(C(C)C)n1.CC(CCC(C)NC(=O)OCc1cncs1)CC(=O)C(CCN)NC(=O)N(C)Cc1csc(C(C)C)n1.CC(CCC(C)NC(=O)OCc1cncs1)CC(=O)C(CCNC(=O)OC(C)(C)C)NC(=O)N(Cc1csc(C(C)C)n1)C1CC1.O=C(NC(CCC(CC(=O)C(CO)NC(=O)N(Cc1cncs1)C1CC1)Cc1ccccc1)Cc1ccccc1)OCc1cncs1
InChIInChI=1S/C43H57N5O5S2.C39H49N5O5S2.C35H41N5O5S2.C32H50N6O6S2.C27H44N6O4S2.C25H40N6O4S2/c1-29(2)40-45-35(27-54-40)25-48(36-19-20-36)41(50)47-39(30(3)53-43(4,5)6)38(49)23-33(21-31-13-9-7-10-14-31)17-18-34(22-32-15-11-8-12-16-32)46-42(51)52-26-37-24-44-28-55-37;1-39(2,3)49-25-35(43-37(46)44(32-16-17-32)23-33-21-40-26-50-33)36(45)20-30(18-28-10-6-4-7-11-28)14-15-31(19-29-12-8-5-9-13-29)42-38(47)48-24-34-22-41-27-51-34;41-21-32(39-34(43)40(29-13-14-29)20-30-18-36-23-46-30)33(42)17-27(15-25-7-3-1-4-8-25)11-12-28(16-26-9-5-2-6-10-26)38-35(44)45-22-31-19-37-24-47-31;1-20(2)28-36-23(18-45-28)16-38(24-10-11-24)29(40)37-26(12-13-34-30(41)44-32(5,6)7)27(39)14-21(3)8-9-22(4)35-31(42)43-17-25-15-33-19-46-25;1-18(2)25-30-21(16-38-25)14-33(7)26(35)31-23(10-11-32(5)6)24(34)12-19(3)8-9-20(4)29-27(36)37-15-22-13-28-17-39-22;1-16(2)23-29-19(14-36-23)12-31(5)24(33)30-21(8-9-26)22(32)10-17(3)6-7-18(4)28-25(34)35-13-20-11-27-15-37-20/h7-16,24,27-30,33-34,36,39H,17-23,25-26H2,1-6H3,(H,46,51)(H,47,50);4-13,21-22,26-27,30-32,35H,14-20,23-25H2,1-3H3,(H,42,47)(H,43,46);1-10,18-19,23-24,27-29,32,41H,11-17,20-22H2,(H,38,44)(H,39,43);15,18-22,24,26H,8-14,16-17H2,1-7H3,(H,34,41)(H,35,42)(H,37,40);13,16-20,23H,8-12,14-15H2,1-7H3,(H,29,36)(H,31,35);11,14-18,21H,6-10,12-13,26H2,1-5H3,(H,28,34)(H,30,33)
InChIKeyKBGXCXQCZLMNHK-UHFFFAOYSA-N
XLogP37.99
TPSA787.40 Ų
H-Bond Donors15
H-Bond Acceptors55
Rotatable Bonds105
Heavy Atoms275
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004008.46
LogP ≤ 537.99
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1055

Computed Properties (RDKit)

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

Analyze 1,3-thiazol-5-ylmethyl N-[10-amino-5-methyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxodecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-8-[[cyclopropyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-9-[(2-methylpropan-2-yl)oxy]-7-oxo-1-phenyldecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-8-[[cyclopropyl(1,3-thiazol-5-ylmethyl)carbamoyl]amino]-9-hydroxy-7-oxo-1-phenylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-8-[[cyclopropyl(1,3-thiazol-5-ylmethyl)carbamoyl]amino]-9-[(2-methylpropan-2-yl)oxy]-7-oxo-1-phenylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[8-[[cyclopropyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-5-methyl-10-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxodecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[10-(dimethylamino)-5-methyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxodecan-2-yl]carbamate with MolForge

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Launch Full Analysis

Related Compounds

1,3-thiazol-5-ylmethyl N-[5-benzyl-8-[[cyclopropyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-9-hydroxy-7-oxo-1-phenyldecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-8-[[cyclopropyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-9-[(2-methylpropan-2-yl)oxy]-7-oxo-1-phenyldecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-8-[[cyclopropyl(1,3-thiazol-5-ylmethyl)carbamoyl]amino]-9-hydroxy-7-oxo-1-phenylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-8-[[cyclopropyl(1,3-thiazol-5-ylmethyl)carbamoyl]amino]-9-[(2-methylpropan-2-yl)oxy]-7-oxo-1-phenylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-9-methoxy-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenylnonan-2-yl]carbamate
CID 158027502
1,3-thiazol-5-ylmethyl N-[10-amino-5-benzyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7,10-dioxo-1-phenyldecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-8-[[cyclopropyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]-9-methyl-7-oxo-1-phenyldecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-9-methoxy-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenyldecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-9-methyl-8-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenyldecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-9-methyl-8-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]-7-oxo-1-phenyldecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-9-methyl-8-[[methyl(1,3-thiazol-5-ylmethyl)carbamoyl]amino]-7-oxo-1-phenyldecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[6-ethyl-10-hydroxy-9-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-8-oxodecan-3-yl]carbamate;1,3-thiazol-5-ylmethyl N-[6-ethyl-10-hydroxy-9-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-8-oxoundecan-3-yl]carbamate;1,3-thiazol-5-ylmethyl N-[6-ethyl-10-[(2-methylpropan-2-yl)oxy]-9-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-8-oxodecan-3-yl]carbamate;1,3-thiazol-5-ylmethyl N-[6-ethyl-10-[(2-methylpropan-2-yl)oxy]-9-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-8-oxoundecan-3-yl]carbamate
CID 157452799
tert-butyl N-[(3S)-4-[[(2S)-1,6-diphenyl-5-(1,3-thiazol-5-ylmethoxycarbonylamino)hexan-2-yl]amino]-3-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-4-oxobutyl]carbamate
CID 126762092
tert-butyl 6-benzyl-3-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-4-oxo-10-phenyl-9-(1,3-thiazol-5-ylmethoxycarbonylamino)decanoate
CID 58416940
1,3-thiazol-5-ylmethyl N-[(2S,5S,8S)-5-benzyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenylundecan-2-yl]carbamate
CID 58416960
1,3-thiazol-5-ylmethyl N-[5-benzyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenyldecan-2-yl]carbamate
CID 58416946
1,3-thiazol-5-ylmethyl N-[(2R,5R,8S)-5-benzyl-8-[[cyclopropyl(1,3-thiazol-5-ylmethyl)carbamoyl]amino]-9-hydroxy-7-oxo-1-phenylnonan-2-yl]carbamate
CID 58416962
1,3-thiazol-5-ylmethyl N-[5-benzyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenyl-9-pyridin-2-ylnonan-2-yl]carbamate
CID 159028111
1,3-thiazol-5-ylmethyl N-[(2S,5S,8S)-5-benzyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenyl-9-(3H-pyrrol-5-yl)nonan-2-yl]carbamate
CID 58416901
1,3-thiazol-5-ylmethyl N-[10-amino-5-methyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxodecan-2-yl]carbamate
CID 58417008
1,3-thiazol-5-ylmethyl N-[(2R,5R,8S)-5-benzyl-9-(2,5-dioxoimidazolidin-4-yl)-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenylnonan-2-yl]carbamate
CID 158653531
1,3-thiazol-5-ylmethyl N-[(2R,5R,8S)-5-benzyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7,9-dioxo-1-phenyldecan-2-yl]carbamate
CID 58416888

Frequently Asked Questions

What is the IUPAC name of 1,3-thiazol-5-ylmethyl N-[10-amino-5-methyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxodecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-8-[[cyclopropyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-9-[(2-methylpropan-2-yl)oxy]-7-oxo-1-phenyldecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-8-[[cyclopropyl(1,3-thiazol-5-ylmethyl)carbamoyl]amino]-9-hydroxy-7-oxo-1-phenylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-8-[[cyclopropyl(1,3-thiazol-5-ylmethyl)carbamoyl]amino]-9-[(2-methylpropan-2-yl)oxy]-7-oxo-1-phenylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[8-[[cyclopropyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-5-methyl-10-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxodecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[10-(dimethylamino)-5-methyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxodecan-2-yl]carbamate?
The IUPAC name of 1,3-thiazol-5-ylmethyl N-[10-amino-5-methyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxodecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-8-[[cyclopropyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-9-[(2-methylpropan-2-yl)oxy]-7-oxo-1-phenyldecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-8-[[cyclopropyl(1,3-thiazol-5-ylmethyl)carbamoyl]amino]-9-hydroxy-7-oxo-1-phenylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-8-[[cyclopropyl(1,3-thiazol-5-ylmethyl)carbamoyl]amino]-9-[(2-methylpropan-2-yl)oxy]-7-oxo-1-phenylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[8-[[cyclopropyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-5-methyl-10-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxodecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[10-(dimethylamino)-5-methyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxodecan-2-yl]carbamate (CID 159084510) is 1,3-thiazol-5-ylmethyl N-[10-amino-5-methyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxodecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-8-[[cyclopropyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-9-[(2-methylpropan-2-yl)oxy]-7-oxo-1-phenyldecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-8-[[cyclopropyl(1,3-thiazol-5-ylmethyl)carbamoyl]amino]-9-hydroxy-7-oxo-1-phenylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-8-[[cyclopropyl(1,3-thiazol-5-ylmethyl)carbamoyl]amino]-9-[(2-methylpropan-2-yl)oxy]-7-oxo-1-phenylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[8-[[cyclopropyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-5-methyl-10-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxodecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[10-(dimethylamino)-5-methyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxodecan-2-yl]carbamate.
What is the SMILES notation for 1,3-thiazol-5-ylmethyl N-[10-amino-5-methyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxodecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-8-[[cyclopropyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-9-[(2-methylpropan-2-yl)oxy]-7-oxo-1-phenyldecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-8-[[cyclopropyl(1,3-thiazol-5-ylmethyl)carbamoyl]amino]-9-hydroxy-7-oxo-1-phenylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-8-[[cyclopropyl(1,3-thiazol-5-ylmethyl)carbamoyl]amino]-9-[(2-methylpropan-2-yl)oxy]-7-oxo-1-phenylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[8-[[cyclopropyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-5-methyl-10-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxodecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[10-(dimethylamino)-5-methyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxodecan-2-yl]carbamate?
The canonical SMILES for 1,3-thiazol-5-ylmethyl N-[10-amino-5-methyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxodecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-8-[[cyclopropyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-9-[(2-methylpropan-2-yl)oxy]-7-oxo-1-phenyldecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-8-[[cyclopropyl(1,3-thiazol-5-ylmethyl)carbamoyl]amino]-9-hydroxy-7-oxo-1-phenylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-8-[[cyclopropyl(1,3-thiazol-5-ylmethyl)carbamoyl]amino]-9-[(2-methylpropan-2-yl)oxy]-7-oxo-1-phenylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[8-[[cyclopropyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-5-methyl-10-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxodecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[10-(dimethylamino)-5-methyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxodecan-2-yl]carbamate is CC(C)(C)OCC(NC(=O)N(Cc1cncs1)C1CC1)C(=O)CC(CCC(Cc1ccccc1)NC(=O)OCc1cncs1)Cc1ccccc1.CC(C)c1nc(CN(C(=O)NC(C(=O)CC(CCC(Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)C(C)OC(C)(C)C)C2CC2)cs1.CC(CCC(C)NC(=O)OCc1cncs1)CC(=O)C(CCN(C)C)NC(=O)N(C)Cc1csc(C(C)C)n1.CC(CCC(C)NC(=O)OCc1cncs1)CC(=O)C(CCN)NC(=O)N(C)Cc1csc(C(C)C)n1.CC(CCC(C)NC(=O)OCc1cncs1)CC(=O)C(CCNC(=O)OC(C)(C)C)NC(=O)N(Cc1csc(C(C)C)n1)C1CC1.O=C(NC(CCC(CC(=O)C(CO)NC(=O)N(Cc1cncs1)C1CC1)Cc1ccccc1)Cc1ccccc1)OCc1cncs1.
What is the InChIKey of 1,3-thiazol-5-ylmethyl N-[10-amino-5-methyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxodecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-8-[[cyclopropyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-9-[(2-methylpropan-2-yl)oxy]-7-oxo-1-phenyldecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-8-[[cyclopropyl(1,3-thiazol-5-ylmethyl)carbamoyl]amino]-9-hydroxy-7-oxo-1-phenylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-8-[[cyclopropyl(1,3-thiazol-5-ylmethyl)carbamoyl]amino]-9-[(2-methylpropan-2-yl)oxy]-7-oxo-1-phenylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[8-[[cyclopropyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-5-methyl-10-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxodecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[10-(dimethylamino)-5-methyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxodecan-2-yl]carbamate?
The InChIKey is KBGXCXQCZLMNHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H57N5O5S2.C39H49N5O5S2.C35H41N5O5S2.C32H50N6O6S2.C27H44N6O4S2.C25H40N6O4S2/c1-29(2)40-45-35(27-54-40)25-48(36-19-20-36)41(50)47-39(30(3)53-43(4,5)6)38(49)23-33(21-31-13-9-7-10-14-31)17-18-34(22-32-15-11-8-12-16-32)46-42(51)52-26-37-24-44-28-55-37;1-39(2,3)49-25-35(43-37(46)44(32-16-17-32)23-33-21-40-26-50-33)36(45)20-30(18-28-10-6-4-7-11-28)14-15-31(19-29-12-8-5-9-13-29)42-38(47)48-24-34-22-41-27-51-34;41-21-32(39-34(43)40(29-13-14-29)20-30-18-36-23-46-30)33(42)17-27(15-25-7-3-1-4-8-25)11-12-28(16-26-9-5-2-6-10-26)38-35(44)45-22-31-19-37-24-47-31;1-20(2)28-36-23(18-45-28)16-38(24-10-11-24)29(40)37-26(12-13-34-30(41)44-32(5,6)7)27(39)14-21(3)8-9-22(4)35-31(42)43-17-25-15-33-19-46-25;1-18(2)25-30-21(16-38-25)14-33(7)26(35)31-23(10-11-32(5)6)24(34)12-19(3)8-9-20(4)29-27(36)37-15-22-13-28-17-39-22;1-16(2)23-29-19(14-36-23)12-31(5)24(33)30-21(8-9-26)22(32)10-17(3)6-7-18(4)28-25(34)35-13-20-11-27-15-37-20/h7-16,24,27-30,33-34,36,39H,17-23,25-26H2,1-6H3,(H,46,51)(H,47,50);4-13,21-22,26-27,30-32,35H,14-20,23-25H2,1-3H3,(H,42,47)(H,43,46);1-10,18-19,23-24,27-29,32,41H,11-17,20-22H2,(H,38,44)(H,39,43);15,18-22,24,26H,8-14,16-17H2,1-7H3,(H,34,41)(H,35,42)(H,37,40);13,16-20,23H,8-12,14-15H2,1-7H3,(H,29,36)(H,31,35);11,14-18,21H,6-10,12-13,26H2,1-5H3,(H,28,34)(H,30,33).
What are the key properties of 1,3-thiazol-5-ylmethyl N-[10-amino-5-methyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxodecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-8-[[cyclopropyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-9-[(2-methylpropan-2-yl)oxy]-7-oxo-1-phenyldecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-8-[[cyclopropyl(1,3-thiazol-5-ylmethyl)carbamoyl]amino]-9-hydroxy-7-oxo-1-phenylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-8-[[cyclopropyl(1,3-thiazol-5-ylmethyl)carbamoyl]amino]-9-[(2-methylpropan-2-yl)oxy]-7-oxo-1-phenylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[8-[[cyclopropyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-5-methyl-10-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxodecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[10-(dimethylamino)-5-methyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxodecan-2-yl]carbamate?
1,3-thiazol-5-ylmethyl N-[10-amino-5-methyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxodecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-8-[[cyclopropyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-9-[(2-methylpropan-2-yl)oxy]-7-oxo-1-phenyldecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-8-[[cyclopropyl(1,3-thiazol-5-ylmethyl)carbamoyl]amino]-9-hydroxy-7-oxo-1-phenylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-8-[[cyclopropyl(1,3-thiazol-5-ylmethyl)carbamoyl]amino]-9-[(2-methylpropan-2-yl)oxy]-7-oxo-1-phenylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[8-[[cyclopropyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-5-methyl-10-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxodecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[10-(dimethylamino)-5-methyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxodecan-2-yl]carbamate has a molecular weight of 4008.46 g/mol, XLogP of 37.99, 105 rotatable bonds, 15 hydrogen bond donors, and 55 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-thiazol-5-ylmethyl N-[10-amino-5-methyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxodecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-8-[[cyclopropyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-9-[(2-methylpropan-2-yl)oxy]-7-oxo-1-phenyldecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-8-[[cyclopropyl(1,3-thiazol-5-ylmethyl)carbamoyl]amino]-9-hydroxy-7-oxo-1-phenylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-8-[[cyclopropyl(1,3-thiazol-5-ylmethyl)carbamoyl]amino]-9-[(2-methylpropan-2-yl)oxy]-7-oxo-1-phenylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[8-[[cyclopropyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-5-methyl-10-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxodecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[10-(dimethylamino)-5-methyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxodecan-2-yl]carbamate is sourced from PubChem (CID 159084510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).