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

C332H455N51O46S20 — CID 157452799

IUPAC1,3-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
SMILESCC(C)C(NC(=O)N(C)Cc1cncs1)C(=O)CC(CCC(Cc1ccccc1)NC(=O)OCc1cncs1)Cc1ccccc1.CC(C)C(NC(=O)N(C)Cc1cscn1)C(=O)CC(CCC(Cc1ccccc1)NC(=O)OCc1cncs1)Cc1ccccc1.CC(C)C(NC(=O)N(Cc1cscn1)C1CC1)C(=O)CC(CCC(Cc1ccccc1)NC(=O)OCc1cncs1)Cc1ccccc1.CC(C)c1nc(CN(C)C(=O)NC(CC(N)=O)C(=O)CC(CCC(Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1.CCC(CCC(CC)NC(=O)OCc1cncs1)CC(=O)C(CO)NC(=O)N(C)Cc1csc(C(C)C)n1.CCC(CCC(CC)NC(=O)OCc1cncs1)CC(=O)C(COC(C)(C)C)NC(=O)N(C)Cc1csc(C(C)C)n1.CCC(CCC(CC)NC(=O)OCc1cncs1)CC(=O)C(NC(=O)N(C)Cc1csc(C(C)C)n1)C(C)O.CCC(CCC(CC)NC(=O)OCc1cncs1)CC(=O)C(NC(=O)N(C)Cc1csc(C(C)C)n1)C(C)OC(C)(C)C.COC(C)C(NC(=O)N(C)Cc1csc(C(C)C)n1)C(=O)CC(CCC(Cc1ccccc1)NC(=O)OCc1cncs1)Cc1ccccc1.Cc1nc(CN(C)C(=O)NC(C(=O)CC(CCC(Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)C(C)C)cs1
InChIInChI=1S/C38H49N5O5S2.C37H46N6O5S2.C37H45N5O4S2.C36H45N5O4S2.2C35H43N5O4S2.C31H51N5O5S2.C30H49N5O5S2.C27H43N5O5S2.C26H41N5O5S2/c1-26(2)36-40-32(24-49-36)22-43(4)37(45)42-35(27(3)47-5)34(44)20-30(18-28-12-8-6-9-13-28)16-17-31(19-29-14-10-7-11-15-29)41-38(46)48-23-33-21-39-25-50-33;1-25(2)35-40-30(23-49-35)21-43(3)36(46)42-32(19-34(38)45)33(44)18-28(16-26-10-6-4-7-11-26)14-15-29(17-27-12-8-5-9-13-27)41-37(47)48-22-31-20-39-24-50-31;1-26(2)35(41-36(44)42(32-15-16-32)21-31-23-47-25-39-31)34(43)19-29(17-27-9-5-3-6-10-27)13-14-30(18-28-11-7-4-8-12-28)40-37(45)46-22-33-20-38-24-48-33;1-25(2)34(40-35(43)41(4)21-31-23-46-26(3)38-31)33(42)19-29(17-27-11-7-5-8-12-27)15-16-30(18-28-13-9-6-10-14-28)39-36(44)45-22-32-20-37-24-47-32;1-25(2)33(39-34(42)40(3)20-30-22-45-24-37-30)32(41)18-28(16-26-10-6-4-7-11-26)14-15-29(17-27-12-8-5-9-13-27)38-35(43)44-21-31-19-36-23-46-31;1-25(2)33(39-34(42)40(3)21-30-19-36-23-45-30)32(41)18-28(16-26-10-6-4-7-11-26)14-15-29(17-27-12-8-5-9-13-27)38-35(43)44-22-31-20-37-24-46-31;1-10-22(12-13-23(11-2)34-30(39)40-17-25-15-32-19-43-25)14-26(37)27(21(5)41-31(6,7)8)35-29(38)36(9)16-24-18-42-28(33-24)20(3)4;1-9-21(11-12-22(10-2)33-29(38)39-16-24-14-31-19-42-24)13-26(36)25(17-40-30(5,6)7)34-28(37)35(8)15-23-18-41-27(32-23)20(3)4;1-7-19(9-10-20(8-2)30-27(36)37-14-22-12-28-16-39-22)11-23(34)24(18(5)33)31-26(35)32(6)13-21-15-38-25(29-21)17(3)4;1-6-18(8-9-19(7-2)29-26(35)36-14-21-11-27-16-38-21)10-23(33)22(13-32)30-25(34)31(5)12-20-15-37-24(28-20)17(3)4/h6-15,21,24-27,30-31,35H,16-20,22-23H2,1-5H3,(H,41,46)(H,42,45);4-13,20,23-25,28-29,32H,14-19,21-22H2,1-3H3,(H2,38,45)(H,41,47)(H,42,46);3-12,20,23-26,29-30,32,35H,13-19,21-22H2,1-2H3,(H,40,45)(H,41,44);5-14,20,23-25,29-30,34H,15-19,21-22H2,1-4H3,(H,39,44)(H,40,43);4-13,19,22-25,28-29,33H,14-18,20-21H2,1-3H3,(H,38,43)(H,39,42);4-13,19-20,23-25,28-29,33H,14-18,21-22H2,1-3H3,(H,38,43)(H,39,42);15,18-23,27H,10-14,16-17H2,1-9H3,(H,34,39)(H,35,38);14,18-22,25H,9-13,15-17H2,1-8H3,(H,33,38)(H,34,37);12,15-20,24,33H,7-11,13-14H2,1-6H3,(H,30,36)(H,31,35);11,15-19,22,32H,6-10,12-14H2,1-5H3,(H,29,35)(H,30,34)
InChIKeyBSZLZMAPXAJNDI-UHFFFAOYSA-N
MW6537.94 g/mol
LogP65.30
Rot. Bonds173

About 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

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 (PubChem CID 157452799) has the molecular formula C332H455N51O46S20 and a molecular weight of 6537.94 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1,3-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
PubChem CID157452799
Molecular FormulaC332H455N51O46S20
Molecular Weight6537.94 g/mol
Exact Mass6531.92
IUPAC Name1,3-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
SMILESCC(C)C(NC(=O)N(C)Cc1cncs1)C(=O)CC(CCC(Cc1ccccc1)NC(=O)OCc1cncs1)Cc1ccccc1.CC(C)C(NC(=O)N(C)Cc1cscn1)C(=O)CC(CCC(Cc1ccccc1)NC(=O)OCc1cncs1)Cc1ccccc1.CC(C)C(NC(=O)N(Cc1cscn1)C1CC1)C(=O)CC(CCC(Cc1ccccc1)NC(=O)OCc1cncs1)Cc1ccccc1.CC(C)c1nc(CN(C)C(=O)NC(CC(N)=O)C(=O)CC(CCC(Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1.CCC(CCC(CC)NC(=O)OCc1cncs1)CC(=O)C(CO)NC(=O)N(C)Cc1csc(C(C)C)n1.CCC(CCC(CC)NC(=O)OCc1cncs1)CC(=O)C(COC(C)(C)C)NC(=O)N(C)Cc1csc(C(C)C)n1.CCC(CCC(CC)NC(=O)OCc1cncs1)CC(=O)C(NC(=O)N(C)Cc1csc(C(C)C)n1)C(C)O.CCC(CCC(CC)NC(=O)OCc1cncs1)CC(=O)C(NC(=O)N(C)Cc1csc(C(C)C)n1)C(C)OC(C)(C)C.COC(C)C(NC(=O)N(C)Cc1csc(C(C)C)n1)C(=O)CC(CCC(Cc1ccccc1)NC(=O)OCc1cncs1)Cc1ccccc1.Cc1nc(CN(C)C(=O)NC(C(=O)CC(CCC(Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)C(C)C)cs1
InChIInChI=1S/C38H49N5O5S2.C37H46N6O5S2.C37H45N5O4S2.C36H45N5O4S2.2C35H43N5O4S2.C31H51N5O5S2.C30H49N5O5S2.C27H43N5O5S2.C26H41N5O5S2/c1-26(2)36-40-32(24-49-36)22-43(4)37(45)42-35(27(3)47-5)34(44)20-30(18-28-12-8-6-9-13-28)16-17-31(19-29-14-10-7-11-15-29)41-38(46)48-23-33-21-39-25-50-33;1-25(2)35-40-30(23-49-35)21-43(3)36(46)42-32(19-34(38)45)33(44)18-28(16-26-10-6-4-7-11-26)14-15-29(17-27-12-8-5-9-13-27)41-37(47)48-22-31-20-39-24-50-31;1-26(2)35(41-36(44)42(32-15-16-32)21-31-23-47-25-39-31)34(43)19-29(17-27-9-5-3-6-10-27)13-14-30(18-28-11-7-4-8-12-28)40-37(45)46-22-33-20-38-24-48-33;1-25(2)34(40-35(43)41(4)21-31-23-46-26(3)38-31)33(42)19-29(17-27-11-7-5-8-12-27)15-16-30(18-28-13-9-6-10-14-28)39-36(44)45-22-32-20-37-24-47-32;1-25(2)33(39-34(42)40(3)20-30-22-45-24-37-30)32(41)18-28(16-26-10-6-4-7-11-26)14-15-29(17-27-12-8-5-9-13-27)38-35(43)44-21-31-19-36-23-46-31;1-25(2)33(39-34(42)40(3)21-30-19-36-23-45-30)32(41)18-28(16-26-10-6-4-7-11-26)14-15-29(17-27-12-8-5-9-13-27)38-35(43)44-22-31-20-37-24-46-31;1-10-22(12-13-23(11-2)34-30(39)40-17-25-15-32-19-43-25)14-26(37)27(21(5)41-31(6,7)8)35-29(38)36(9)16-24-18-42-28(33-24)20(3)4;1-9-21(11-12-22(10-2)33-29(38)39-16-24-14-31-19-42-24)13-26(36)25(17-40-30(5,6)7)34-28(37)35(8)15-23-18-41-27(32-23)20(3)4;1-7-19(9-10-20(8-2)30-27(36)37-14-22-12-28-16-39-22)11-23(34)24(18(5)33)31-26(35)32(6)13-21-15-38-25(29-21)17(3)4;1-6-18(8-9-19(7-2)29-26(35)36-14-21-11-27-16-38-21)10-23(33)22(13-32)30-25(34)31(5)12-20-15-37-24(28-20)17(3)4/h6-15,21,24-27,30-31,35H,16-20,22-23H2,1-5H3,(H,41,46)(H,42,45);4-13,20,23-25,28-29,32H,14-19,21-22H2,1-3H3,(H2,38,45)(H,41,47)(H,42,46);3-12,20,23-26,29-30,32,35H,13-19,21-22H2,1-2H3,(H,40,45)(H,41,44);5-14,20,23-25,29-30,34H,15-19,21-22H2,1-4H3,(H,39,44)(H,40,43);4-13,19,22-25,28-29,33H,14-18,20-21H2,1-3H3,(H,38,43)(H,39,42);4-13,19-20,23-25,28-29,33H,14-18,21-22H2,1-3H3,(H,38,43)(H,39,42);15,18-23,27H,10-14,16-17H2,1-9H3,(H,34,39)(H,35,38);14,18-22,25H,9-13,15-17H2,1-8H3,(H,33,38)(H,34,37);12,15-20,24,33H,7-11,13-14H2,1-6H3,(H,30,36)(H,31,35);11,15-19,22,32H,6-10,12-14H2,1-5H3,(H,29,35)(H,30,34)
InChIKeyBSZLZMAPXAJNDI-UHFFFAOYSA-N
XLogP65.30
TPSA1246.44 Ų
H-Bond Donors23
H-Bond Acceptors86
Rotatable Bonds173
Heavy Atoms449
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5006537.94
LogP ≤ 565.30
H-Bond Donors ≤ 523
H-Bond Acceptors ≤ 1086

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

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-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
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
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-phenyl-9-pyridin-2-ylnonan-2-yl]carbamate
CID 159028111
1,3-thiazol-5-ylmethyl N-[(2R,5R)-5-[[(2S)-2-[[cyclopropyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-3-methoxypropanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate
CID 70868655
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-[(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-[(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
1,3-thiazol-5-ylmethyl N-[(2S,5S)-5-[[(2S)-3-hydroxy-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]propanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate
CID 59721273
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)C(NC(=O)N(C)Cc1cncs1)C(=O)CC(CCC(Cc1ccccc1)NC(=O)OCc1cncs1)Cc1ccccc1.CC(C)C(NC(=O)N(C)Cc1cscn1)C(=O)CC(CCC(Cc1ccccc1)NC(=O)OCc1cncs1)Cc1ccccc1.CC(C)C(NC(=O)N(Cc1cscn1)C1CC1)C(=O)CC(CCC(Cc1ccccc1)NC(=O)OCc1cncs1)Cc1ccccc1.CC(C)c1nc(CN(C)C(=O)NC(CC(N)=O)C(=O)CC(CCC(Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1.CCC(CCC(CC)NC(=O)OCc1cncs1)CC(=O)C(CO)NC(=O)N(C)Cc1csc(C(C)C)n1.CCC(CCC(CC)NC(=O)OCc1cncs1)CC(=O)C(COC(C)(C)C)NC(=O)N(C)Cc1csc(C(C)C)n1.CCC(CCC(CC)NC(=O)OCc1cncs1)CC(=O)C(NC(=O)N(C)Cc1csc(C(C)C)n1)C(C)O.CCC(CCC(CC)NC(=O)OCc1cncs1)CC(=O)C(NC(=O)N(C)Cc1csc(C(C)C)n1)C(C)OC(C)(C)C.COC(C)C(NC(=O)N(C)Cc1csc(C(C)C)n1)C(=O)CC(CCC(Cc1ccccc1)NC(=O)OCc1cncs1)Cc1ccccc1.Cc1nc(CN(C)C(=O)NC(C(=O)CC(CCC(Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)C(C)C)cs1.
What is the InChIKey of 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?
The InChIKey is BSZLZMAPXAJNDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H49N5O5S2.C37H46N6O5S2.C37H45N5O4S2.C36H45N5O4S2.2C35H43N5O4S2.C31H51N5O5S2.C30H49N5O5S2.C27H43N5O5S2.C26H41N5O5S2/c1-26(2)36-40-32(24-49-36)22-43(4)37(45)42-35(27(3)47-5)34(44)20-30(18-28-12-8-6-9-13-28)16-17-31(19-29-14-10-7-11-15-29)41-38(46)48-23-33-21-39-25-50-33;1-25(2)35-40-30(23-49-35)21-43(3)36(46)42-32(19-34(38)45)33(44)18-28(16-26-10-6-4-7-11-26)14-15-29(17-27-12-8-5-9-13-27)41-37(47)48-22-31-20-39-24-50-31;1-26(2)35(41-36(44)42(32-15-16-32)21-31-23-47-25-39-31)34(43)19-29(17-27-9-5-3-6-10-27)13-14-30(18-28-11-7-4-8-12-28)40-37(45)46-22-33-20-38-24-48-33;1-25(2)34(40-35(43)41(4)21-31-23-46-26(3)38-31)33(42)19-29(17-27-11-7-5-8-12-27)15-16-30(18-28-13-9-6-10-14-28)39-36(44)45-22-32-20-37-24-47-32;1-25(2)33(39-34(42)40(3)20-30-22-45-24-37-30)32(41)18-28(16-26-10-6-4-7-11-26)14-15-29(17-27-12-8-5-9-13-27)38-35(43)44-21-31-19-36-23-46-31;1-25(2)33(39-34(42)40(3)21-30-19-36-23-45-30)32(41)18-28(16-26-10-6-4-7-11-26)14-15-29(17-27-12-8-5-9-13-27)38-35(43)44-22-31-20-37-24-46-31;1-10-22(12-13-23(11-2)34-30(39)40-17-25-15-32-19-43-25)14-26(37)27(21(5)41-31(6,7)8)35-29(38)36(9)16-24-18-42-28(33-24)20(3)4;1-9-21(11-12-22(10-2)33-29(38)39-16-24-14-31-19-42-24)13-26(36)25(17-40-30(5,6)7)34-28(37)35(8)15-23-18-41-27(32-23)20(3)4;1-7-19(9-10-20(8-2)30-27(36)37-14-22-12-28-16-39-22)11-23(34)24(18(5)33)31-26(35)32(6)13-21-15-38-25(29-21)17(3)4;1-6-18(8-9-19(7-2)29-26(35)36-14-21-11-27-16-38-21)10-23(33)22(13-32)30-25(34)31(5)12-20-15-37-24(28-20)17(3)4/h6-15,21,24-27,30-31,35H,16-20,22-23H2,1-5H3,(H,41,46)(H,42,45);4-13,20,23-25,28-29,32H,14-19,21-22H2,1-3H3,(H2,38,45)(H,41,47)(H,42,46);3-12,20,23-26,29-30,32,35H,13-19,21-22H2,1-2H3,(H,40,45)(H,41,44);5-14,20,23-25,29-30,34H,15-19,21-22H2,1-4H3,(H,39,44)(H,40,43);4-13,19,22-25,28-29,33H,14-18,20-21H2,1-3H3,(H,38,43)(H,39,42);4-13,19-20,23-25,28-29,33H,14-18,21-22H2,1-3H3,(H,38,43)(H,39,42);15,18-23,27H,10-14,16-17H2,1-9H3,(H,34,39)(H,35,38);14,18-22,25H,9-13,15-17H2,1-8H3,(H,33,38)(H,34,37);12,15-20,24,33H,7-11,13-14H2,1-6H3,(H,30,36)(H,31,35);11,15-19,22,32H,6-10,12-14H2,1-5H3,(H,29,35)(H,30,34).
What are the key properties of 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?
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 has a molecular weight of 6537.94 g/mol, XLogP of 65.30, 173 rotatable bonds, 23 hydrogen bond donors, and 86 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157452799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).