1,3-thiazol-5-ylmethyl N-[5-benzyl-9-(dimethylamino)-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-10-hydroxy-8-[[methyl(1,3-thiazol-5-ylmethyl)carbamoyl]amino]-7-oxo-1-phenyldecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-10-(methylamino)-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-8-methyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[6-ethyl-10-methyl-9-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-8-oxoundecan-3-yl]carbamate

C175H233N27O21S10 — CID 157132814

IUPAC1,3-thiazol-5-ylmethyl N-[5-benzyl-9-(dimethylamino)-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-10-hydroxy-8-[[methyl(1,3-thiazol-5-ylmethyl)carbamoyl]amino]-7-oxo-1-phenyldecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-10-(methylamino)-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-8-methyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[6-ethyl-10-methyl-9-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-8-oxoundecan-3-yl]carbamate
SMILESCC(C)c1nc(CN(C)C(=O)NC(C)(C)C(=O)CC(CCC(Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1.CC(C)c1nc(CN(C)C(=O)NC(CN(C)C)C(=O)CC(CCC(Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1.CCC(CCC(CC)NC(=O)OCc1cncs1)CC(=O)C(NC(=O)N(C)Cc1csc(C(C)C)n1)C(C)C.CN(Cc1cncs1)C(=O)NC(CCO)C(=O)CC(CCC(Cc1ccccc1)NC(=O)OCc1cncs1)Cc1ccccc1.CNCCC(NC(=O)N(C)Cc1csc(C(C)C)n1)C(=O)CC(CCC(Cc1ccccc1)NC(=O)OCc1cncs1)Cc1ccccc1
InChIInChI=1S/2C38H50N6O4S2.C37H47N5O4S2.C34H41N5O5S2.C28H45N5O4S2/c1-27(2)36-40-32(25-49-36)22-44(5)37(46)42-34(23-43(3)4)35(45)20-30(18-28-12-8-6-9-13-28)16-17-31(19-29-14-10-7-11-15-29)41-38(47)48-24-33-21-39-26-50-33;1-27(2)36-41-32(25-49-36)23-44(4)37(46)43-34(17-18-39-3)35(45)21-30(19-28-11-7-5-8-12-28)15-16-31(20-29-13-9-6-10-14-29)42-38(47)48-24-33-22-40-26-50-33;1-26(2)34-39-31(24-47-34)22-42(5)35(44)41-37(3,4)33(43)20-29(18-27-12-8-6-9-13-27)16-17-30(19-28-14-10-7-11-15-28)40-36(45)46-23-32-21-38-25-48-32;1-39(21-29-19-35-23-45-29)33(42)38-31(14-15-40)32(41)18-27(16-25-8-4-2-5-9-25)12-13-28(17-26-10-6-3-7-11-26)37-34(43)44-22-30-20-36-24-46-30;1-8-20(10-11-21(9-2)31-28(36)37-15-23-13-29-17-39-23)12-24(34)25(18(3)4)32-27(35)33(7)14-22-16-38-26(30-22)19(5)6/h6-15,21,25-27,30-31,34H,16-20,22-24H2,1-5H3,(H,41,47)(H,42,46);5-14,22,25-27,30-31,34,39H,15-21,23-24H2,1-4H3,(H,42,47)(H,43,46);6-15,21,24-26,29-30H,16-20,22-23H2,1-5H3,(H,40,45)(H,41,44);2-11,19-20,23-24,27-28,31,40H,12-18,21-22H2,1H3,(H,37,43)(H,38,42);13,16-21,25H,8-12,14-15H2,1-7H3,(H,31,36)(H,32,35)
InChIKeyAJGSVDXBCCNZKZ-UHFFFAOYSA-N
MW3371.63 g/mol
LogP33.68
Rot. Bonds90

About 1,3-thiazol-5-ylmethyl N-[5-benzyl-9-(dimethylamino)-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-10-hydroxy-8-[[methyl(1,3-thiazol-5-ylmethyl)carbamoyl]amino]-7-oxo-1-phenyldecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-10-(methylamino)-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-8-methyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[6-ethyl-10-methyl-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-[5-benzyl-9-(dimethylamino)-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-10-hydroxy-8-[[methyl(1,3-thiazol-5-ylmethyl)carbamoyl]amino]-7-oxo-1-phenyldecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-10-(methylamino)-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-8-methyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[6-ethyl-10-methyl-9-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-8-oxoundecan-3-yl]carbamate (PubChem CID 157132814) has the molecular formula C175H233N27O21S10 and a molecular weight of 3371.63 g/mol. Its IUPAC name is 1,3-thiazol-5-ylmethyl N-[5-benzyl-9-(dimethylamino)-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-10-hydroxy-8-[[methyl(1,3-thiazol-5-ylmethyl)carbamoyl]amino]-7-oxo-1-phenyldecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-10-(methylamino)-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-8-methyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[6-ethyl-10-methyl-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-[5-benzyl-9-(dimethylamino)-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-10-hydroxy-8-[[methyl(1,3-thiazol-5-ylmethyl)carbamoyl]amino]-7-oxo-1-phenyldecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-10-(methylamino)-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-8-methyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[6-ethyl-10-methyl-9-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-8-oxoundecan-3-yl]carbamate
PubChem CID157132814
Molecular FormulaC175H233N27O21S10
Molecular Weight3371.63 g/mol
Exact Mass3368.52
IUPAC Name1,3-thiazol-5-ylmethyl N-[5-benzyl-9-(dimethylamino)-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-10-hydroxy-8-[[methyl(1,3-thiazol-5-ylmethyl)carbamoyl]amino]-7-oxo-1-phenyldecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-10-(methylamino)-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-8-methyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[6-ethyl-10-methyl-9-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-8-oxoundecan-3-yl]carbamate
SMILESCC(C)c1nc(CN(C)C(=O)NC(C)(C)C(=O)CC(CCC(Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1.CC(C)c1nc(CN(C)C(=O)NC(CN(C)C)C(=O)CC(CCC(Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1.CCC(CCC(CC)NC(=O)OCc1cncs1)CC(=O)C(NC(=O)N(C)Cc1csc(C(C)C)n1)C(C)C.CN(Cc1cncs1)C(=O)NC(CCO)C(=O)CC(CCC(Cc1ccccc1)NC(=O)OCc1cncs1)Cc1ccccc1.CNCCC(NC(=O)N(C)Cc1csc(C(C)C)n1)C(=O)CC(CCC(Cc1ccccc1)NC(=O)OCc1cncs1)Cc1ccccc1
InChIInChI=1S/2C38H50N6O4S2.C37H47N5O4S2.C34H41N5O5S2.C28H45N5O4S2/c1-27(2)36-40-32(25-49-36)22-44(5)37(46)42-34(23-43(3)4)35(45)20-30(18-28-12-8-6-9-13-28)16-17-31(19-29-14-10-7-11-15-29)41-38(47)48-24-33-21-39-26-50-33;1-27(2)36-41-32(25-49-36)23-44(4)37(46)43-34(17-18-39-3)35(45)21-30(19-28-11-7-5-8-12-28)15-16-31(20-29-13-9-6-10-14-29)42-38(47)48-24-33-22-40-26-50-33;1-26(2)34-39-31(24-47-34)22-42(5)35(44)41-37(3,4)33(43)20-29(18-27-12-8-6-9-13-27)16-17-30(19-28-14-10-7-11-15-28)40-36(45)46-23-32-21-38-25-48-32;1-39(21-29-19-35-23-45-29)33(42)38-31(14-15-40)32(41)18-27(16-25-8-4-2-5-9-25)12-13-28(17-26-10-6-3-7-11-26)37-34(43)44-22-30-20-36-24-46-30;1-8-20(10-11-21(9-2)31-28(36)37-15-23-13-29-17-39-23)12-24(34)25(18(3)4)32-27(35)33(7)14-22-16-38-26(30-22)19(5)6/h6-15,21,25-27,30-31,34H,16-20,22-24H2,1-5H3,(H,41,47)(H,42,46);5-14,22,25-27,30-31,34,39H,15-21,23-24H2,1-4H3,(H,42,47)(H,43,46);6-15,21,24-26,29-30H,16-20,22-23H2,1-5H3,(H,40,45)(H,41,44);2-11,19-20,23-24,27-28,31,40H,12-18,21-22H2,1H3,(H,37,43)(H,38,42);13,16-21,25H,8-12,14-15H2,1-7H3,(H,31,36)(H,32,35)
InChIKeyAJGSVDXBCCNZKZ-UHFFFAOYSA-N
XLogP33.68
TPSA603.10 Ų
H-Bond Donors12
H-Bond Acceptors43
Rotatable Bonds90
Heavy Atoms233
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003371.63
LogP ≤ 533.68
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1043

Computed Properties (RDKit)

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

Analyze 1,3-thiazol-5-ylmethyl N-[5-benzyl-9-(dimethylamino)-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-10-hydroxy-8-[[methyl(1,3-thiazol-5-ylmethyl)carbamoyl]amino]-7-oxo-1-phenyldecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-10-(methylamino)-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-8-methyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[6-ethyl-10-methyl-9-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-8-oxoundecan-3-yl]carbamate with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1,3-thiazol-5-ylmethyl N-[5-benzyl-9-(dimethylamino)-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-10-hydroxy-8-[[methyl(1,3-thiazol-5-ylmethyl)carbamoyl]amino]-7-oxo-1-phenyldecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-10-(methylamino)-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-8-methyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[6-ethyl-10-methyl-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-[5-benzyl-9-(dimethylamino)-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-10-hydroxy-8-[[methyl(1,3-thiazol-5-ylmethyl)carbamoyl]amino]-7-oxo-1-phenyldecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-10-(methylamino)-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-8-methyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[6-ethyl-10-methyl-9-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-8-oxoundecan-3-yl]carbamate (CID 157132814) is 1,3-thiazol-5-ylmethyl N-[5-benzyl-9-(dimethylamino)-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-10-hydroxy-8-[[methyl(1,3-thiazol-5-ylmethyl)carbamoyl]amino]-7-oxo-1-phenyldecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-10-(methylamino)-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-8-methyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[6-ethyl-10-methyl-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-[5-benzyl-9-(dimethylamino)-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-10-hydroxy-8-[[methyl(1,3-thiazol-5-ylmethyl)carbamoyl]amino]-7-oxo-1-phenyldecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-10-(methylamino)-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-8-methyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[6-ethyl-10-methyl-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-[5-benzyl-9-(dimethylamino)-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-10-hydroxy-8-[[methyl(1,3-thiazol-5-ylmethyl)carbamoyl]amino]-7-oxo-1-phenyldecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-10-(methylamino)-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-8-methyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[6-ethyl-10-methyl-9-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-8-oxoundecan-3-yl]carbamate is CC(C)c1nc(CN(C)C(=O)NC(C)(C)C(=O)CC(CCC(Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1.CC(C)c1nc(CN(C)C(=O)NC(CN(C)C)C(=O)CC(CCC(Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1.CCC(CCC(CC)NC(=O)OCc1cncs1)CC(=O)C(NC(=O)N(C)Cc1csc(C(C)C)n1)C(C)C.CN(Cc1cncs1)C(=O)NC(CCO)C(=O)CC(CCC(Cc1ccccc1)NC(=O)OCc1cncs1)Cc1ccccc1.CNCCC(NC(=O)N(C)Cc1csc(C(C)C)n1)C(=O)CC(CCC(Cc1ccccc1)NC(=O)OCc1cncs1)Cc1ccccc1.
What is the InChIKey of 1,3-thiazol-5-ylmethyl N-[5-benzyl-9-(dimethylamino)-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-10-hydroxy-8-[[methyl(1,3-thiazol-5-ylmethyl)carbamoyl]amino]-7-oxo-1-phenyldecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-10-(methylamino)-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-8-methyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[6-ethyl-10-methyl-9-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-8-oxoundecan-3-yl]carbamate?
The InChIKey is AJGSVDXBCCNZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C38H50N6O4S2.C37H47N5O4S2.C34H41N5O5S2.C28H45N5O4S2/c1-27(2)36-40-32(25-49-36)22-44(5)37(46)42-34(23-43(3)4)35(45)20-30(18-28-12-8-6-9-13-28)16-17-31(19-29-14-10-7-11-15-29)41-38(47)48-24-33-21-39-26-50-33;1-27(2)36-41-32(25-49-36)23-44(4)37(46)43-34(17-18-39-3)35(45)21-30(19-28-11-7-5-8-12-28)15-16-31(20-29-13-9-6-10-14-29)42-38(47)48-24-33-22-40-26-50-33;1-26(2)34-39-31(24-47-34)22-42(5)35(44)41-37(3,4)33(43)20-29(18-27-12-8-6-9-13-27)16-17-30(19-28-14-10-7-11-15-28)40-36(45)46-23-32-21-38-25-48-32;1-39(21-29-19-35-23-45-29)33(42)38-31(14-15-40)32(41)18-27(16-25-8-4-2-5-9-25)12-13-28(17-26-10-6-3-7-11-26)37-34(43)44-22-30-20-36-24-46-30;1-8-20(10-11-21(9-2)31-28(36)37-15-23-13-29-17-39-23)12-24(34)25(18(3)4)32-27(35)33(7)14-22-16-38-26(30-22)19(5)6/h6-15,21,25-27,30-31,34H,16-20,22-24H2,1-5H3,(H,41,47)(H,42,46);5-14,22,25-27,30-31,34,39H,15-21,23-24H2,1-4H3,(H,42,47)(H,43,46);6-15,21,24-26,29-30H,16-20,22-23H2,1-5H3,(H,40,45)(H,41,44);2-11,19-20,23-24,27-28,31,40H,12-18,21-22H2,1H3,(H,37,43)(H,38,42);13,16-21,25H,8-12,14-15H2,1-7H3,(H,31,36)(H,32,35).
What are the key properties of 1,3-thiazol-5-ylmethyl N-[5-benzyl-9-(dimethylamino)-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-10-hydroxy-8-[[methyl(1,3-thiazol-5-ylmethyl)carbamoyl]amino]-7-oxo-1-phenyldecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-10-(methylamino)-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-8-methyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[6-ethyl-10-methyl-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-[5-benzyl-9-(dimethylamino)-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-10-hydroxy-8-[[methyl(1,3-thiazol-5-ylmethyl)carbamoyl]amino]-7-oxo-1-phenyldecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-10-(methylamino)-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-8-methyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[6-ethyl-10-methyl-9-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-8-oxoundecan-3-yl]carbamate has a molecular weight of 3371.63 g/mol, XLogP of 33.68, 90 rotatable bonds, 12 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-thiazol-5-ylmethyl N-[5-benzyl-9-(dimethylamino)-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-10-hydroxy-8-[[methyl(1,3-thiazol-5-ylmethyl)carbamoyl]amino]-7-oxo-1-phenyldecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-10-(methylamino)-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-8-methyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[6-ethyl-10-methyl-9-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-8-oxoundecan-3-yl]carbamate is sourced from PubChem (CID 157132814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).