1,3-thiazol-5-ylmethyl N-[5-benzyl-10-hydroxy-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-methoxy-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-9-methoxy-8-[[methyl(1,3-thiazol-5-ylmethyl)carbamoyl]amino]-7-oxo-1-phenylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-9-methyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenyldecan-2-yl]-N-methylcarbamate;1,3-thiazol-5-ylmethyl N-[(E)-5-benzyl-9-methyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenyldec-3-en-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[methyl-[3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate

C223H283N31O27S12 — CID 159896363

IUPAC1,3-thiazol-5-ylmethyl N-[5-benzyl-10-hydroxy-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-methoxy-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-9-methoxy-8-[[methyl(1,3-thiazol-5-ylmethyl)carbamoyl]amino]-7-oxo-1-phenylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-9-methyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenyldecan-2-yl]-N-methylcarbamate;1,3-thiazol-5-ylmethyl N-[(E)-5-benzyl-9-methyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenyldec-3-en-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[methyl-[3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate
SMILESCC(C)c1nc(CN(C)C(=O)NC(C(=O)CC(/C=C/C(Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)C(C)C)cs1.CC(C)c1nc(CN(C)C(=O)NC(C(=O)CC(CCC(Cc2ccccc2)N(C)C(=O)OCc2cncs2)Cc2ccccc2)C(C)C)cs1.CC(C)c1nc(CN(C)C(=O)NC(C(=O)N(C)C(CCC(Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)C(C)C)cs1.CC(C)c1nc(CN(C)C(=O)NC(CCO)C(=O)CC(CCC(Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1.COCC(NC(=O)N(C)Cc1cncs1)C(=O)CC(CCC(Cc1ccccc1)NC(=O)OCc1cncs1)Cc1ccccc1.COCC(NC(=O)N(C)Cc1csc(C(C)C)n1)C(=O)CC(CCC(Cc1ccccc1)NC(=O)OCc1cncs1)Cc1ccccc1
InChIInChI=1S/C39H51N5O4S2.C38H50N6O4S2.C38H47N5O4S2.2C37H47N5O5S2.C34H41N5O5S2/c1-27(2)36(42-38(46)43(5)23-32-25-49-37(41-32)28(3)4)35(45)21-31(19-29-13-9-7-10-14-29)17-18-33(20-30-15-11-8-12-16-30)44(6)39(47)48-24-34-22-40-26-50-34;1-26(2)34(42-37(46)43(5)22-31-24-49-35(40-31)27(3)4)36(45)44(6)32(20-29-15-11-8-12-16-29)18-17-30(19-28-13-9-7-10-14-28)41-38(47)48-23-33-21-39-25-50-33;1-26(2)35(42-37(45)43(5)22-32-24-48-36(40-32)27(3)4)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)47-23-33-21-39-25-49-33;1-26(2)35-39-31(24-48-35)21-42(3)36(44)41-33(23-46-4)34(43)19-29(17-27-11-7-5-8-12-27)15-16-30(18-28-13-9-6-10-14-28)40-37(45)47-22-32-20-38-25-49-32;1-26(2)35-39-31(24-48-35)22-42(3)36(45)41-33(16-17-43)34(44)20-29(18-27-10-6-4-7-11-27)14-15-30(19-28-12-8-5-9-13-28)40-37(46)47-23-32-21-38-25-49-32;1-39(20-29-18-35-23-45-29)33(41)38-31(22-43-2)32(40)17-27(15-25-9-5-3-6-10-25)13-14-28(16-26-11-7-4-8-12-26)37-34(42)44-21-30-19-36-24-46-30/h7-16,22,25-28,31,33,36H,17-21,23-24H2,1-6H3,(H,42,46);7-16,21,24-27,30,32,34H,17-20,22-23H2,1-6H3,(H,41,47)(H,42,46);6-17,21,24-27,30-31,35H,18-20,22-23H2,1-5H3,(H,41,46)(H,42,45);5-14,20,24-26,29-30,33H,15-19,21-23H2,1-4H3,(H,40,45)(H,41,44);4-13,21,24-26,29-30,33,43H,14-20,22-23H2,1-3H3,(H,40,46)(H,41,45);3-12,18-19,23-24,27-28,31H,13-17,20-22H2,1-2H3,(H,37,42)(H,38,41)/b;;17-16+;;;
InChIKeyNVJVWYNBMSBGMR-RNLYSOKLSA-N
MW4214.71 g/mol
LogP43.10
Rot. Bonds108

About 1,3-thiazol-5-ylmethyl N-[5-benzyl-10-hydroxy-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-methoxy-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-9-methoxy-8-[[methyl(1,3-thiazol-5-ylmethyl)carbamoyl]amino]-7-oxo-1-phenylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-9-methyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenyldecan-2-yl]-N-methylcarbamate;1,3-thiazol-5-ylmethyl N-[(E)-5-benzyl-9-methyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenyldec-3-en-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[methyl-[3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate

1,3-thiazol-5-ylmethyl N-[5-benzyl-10-hydroxy-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-methoxy-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-9-methoxy-8-[[methyl(1,3-thiazol-5-ylmethyl)carbamoyl]amino]-7-oxo-1-phenylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-9-methyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenyldecan-2-yl]-N-methylcarbamate;1,3-thiazol-5-ylmethyl N-[(E)-5-benzyl-9-methyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenyldec-3-en-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[methyl-[3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate (PubChem CID 159896363) has the molecular formula C223H283N31O27S12 and a molecular weight of 4214.71 g/mol. Its IUPAC name is 1,3-thiazol-5-ylmethyl N-[5-benzyl-10-hydroxy-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-methoxy-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-9-methoxy-8-[[methyl(1,3-thiazol-5-ylmethyl)carbamoyl]amino]-7-oxo-1-phenylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-9-methyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenyldecan-2-yl]-N-methylcarbamate;1,3-thiazol-5-ylmethyl N-[(E)-5-benzyl-9-methyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenyldec-3-en-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[methyl-[3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate.

Molecular Properties

Compound Name1,3-thiazol-5-ylmethyl N-[5-benzyl-10-hydroxy-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-methoxy-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-9-methoxy-8-[[methyl(1,3-thiazol-5-ylmethyl)carbamoyl]amino]-7-oxo-1-phenylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-9-methyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenyldecan-2-yl]-N-methylcarbamate;1,3-thiazol-5-ylmethyl N-[(E)-5-benzyl-9-methyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenyldec-3-en-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[methyl-[3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate
PubChem CID159896363
Molecular FormulaC223H283N31O27S12
Molecular Weight4214.71 g/mol
Exact Mass4210.84
IUPAC Name1,3-thiazol-5-ylmethyl N-[5-benzyl-10-hydroxy-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-methoxy-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-9-methoxy-8-[[methyl(1,3-thiazol-5-ylmethyl)carbamoyl]amino]-7-oxo-1-phenylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-9-methyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenyldecan-2-yl]-N-methylcarbamate;1,3-thiazol-5-ylmethyl N-[(E)-5-benzyl-9-methyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenyldec-3-en-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[methyl-[3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate
SMILESCC(C)c1nc(CN(C)C(=O)NC(C(=O)CC(/C=C/C(Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)C(C)C)cs1.CC(C)c1nc(CN(C)C(=O)NC(C(=O)CC(CCC(Cc2ccccc2)N(C)C(=O)OCc2cncs2)Cc2ccccc2)C(C)C)cs1.CC(C)c1nc(CN(C)C(=O)NC(C(=O)N(C)C(CCC(Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)C(C)C)cs1.CC(C)c1nc(CN(C)C(=O)NC(CCO)C(=O)CC(CCC(Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1.COCC(NC(=O)N(C)Cc1cncs1)C(=O)CC(CCC(Cc1ccccc1)NC(=O)OCc1cncs1)Cc1ccccc1.COCC(NC(=O)N(C)Cc1csc(C(C)C)n1)C(=O)CC(CCC(Cc1ccccc1)NC(=O)OCc1cncs1)Cc1ccccc1
InChIInChI=1S/C39H51N5O4S2.C38H50N6O4S2.C38H47N5O4S2.2C37H47N5O5S2.C34H41N5O5S2/c1-27(2)36(42-38(46)43(5)23-32-25-49-37(41-32)28(3)4)35(45)21-31(19-29-13-9-7-10-14-29)17-18-33(20-30-15-11-8-12-16-30)44(6)39(47)48-24-34-22-40-26-50-34;1-26(2)34(42-37(46)43(5)22-31-24-49-35(40-31)27(3)4)36(45)44(6)32(20-29-15-11-8-12-16-29)18-17-30(19-28-13-9-7-10-14-28)41-38(47)48-23-33-21-39-25-50-33;1-26(2)35(42-37(45)43(5)22-32-24-48-36(40-32)27(3)4)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)47-23-33-21-39-25-49-33;1-26(2)35-39-31(24-48-35)21-42(3)36(44)41-33(23-46-4)34(43)19-29(17-27-11-7-5-8-12-27)15-16-30(18-28-13-9-6-10-14-28)40-37(45)47-22-32-20-38-25-49-32;1-26(2)35-39-31(24-48-35)22-42(3)36(45)41-33(16-17-43)34(44)20-29(18-27-10-6-4-7-11-27)14-15-30(19-28-12-8-5-9-13-28)40-37(46)47-23-32-21-38-25-49-32;1-39(20-29-18-35-23-45-29)33(41)38-31(22-43-2)32(40)17-27(15-25-9-5-3-6-10-25)13-14-28(16-26-11-7-4-8-12-26)37-34(42)44-21-30-19-36-24-46-30/h7-16,22,25-28,31,33,36H,17-21,23-24H2,1-6H3,(H,42,46);7-16,21,24-27,30,32,34H,17-20,22-23H2,1-6H3,(H,41,47)(H,42,46);6-17,21,24-27,30-31,35H,18-20,22-23H2,1-5H3,(H,41,46)(H,42,45);5-14,20,24-26,29-30,33H,15-19,21-23H2,1-4H3,(H,40,45)(H,41,44);4-13,21,24-26,29-30,33,43H,14-20,22-23H2,1-3H3,(H,40,46)(H,41,45);3-12,18-19,23-24,27-28,31H,13-17,20-22H2,1-2H3,(H,37,42)(H,38,41)/b;;17-16+;;;
InChIKeyNVJVWYNBMSBGMR-RNLYSOKLSA-N
XLogP43.10
TPSA714.26 Ų
H-Bond Donors12
H-Bond Acceptors51
Rotatable Bonds108
Heavy Atoms293
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004214.71
LogP ≤ 543.10
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1051

Computed Properties (RDKit)

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

Analyze 1,3-thiazol-5-ylmethyl N-[5-benzyl-10-hydroxy-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-methoxy-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-9-methoxy-8-[[methyl(1,3-thiazol-5-ylmethyl)carbamoyl]amino]-7-oxo-1-phenylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-9-methyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenyldecan-2-yl]-N-methylcarbamate;1,3-thiazol-5-ylmethyl N-[(E)-5-benzyl-9-methyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenyldec-3-en-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[methyl-[3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate with MolForge

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Related Compounds

1,3-thiazol-5-ylmethyl N-[5-benzyl-9-hydroxy-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-9-(1-methylimidazol-4-yl)-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-[(E)-5-benzyl-9-methyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenyldec-3-en-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-9-[(2-methylpropan-2-yl)oxy]-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-[methyl-[3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[8-methyl-7-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-6-oxononyl]carbamate
CID 157203892
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
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-[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,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-[(E,2S,5S)-5-[[(2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhex-3-en-2-yl]carbamate
CID 59721363
1,3-thiazol-5-ylmethyl N-[(2R,5R)-5-[[(2R)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate
CID 59721272
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-[(8S)-5-benzyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-10-morpholin-4-yl-7-oxo-1-phenyldecan-2-yl]carbamate
CID 158110203
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-[5-benzyl-10-hydroxy-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-methoxy-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-9-methoxy-8-[[methyl(1,3-thiazol-5-ylmethyl)carbamoyl]amino]-7-oxo-1-phenylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-9-methyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenyldecan-2-yl]-N-methylcarbamate;1,3-thiazol-5-ylmethyl N-[(E)-5-benzyl-9-methyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenyldec-3-en-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[methyl-[3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate?
The IUPAC name of 1,3-thiazol-5-ylmethyl N-[5-benzyl-10-hydroxy-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-methoxy-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-9-methoxy-8-[[methyl(1,3-thiazol-5-ylmethyl)carbamoyl]amino]-7-oxo-1-phenylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-9-methyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenyldecan-2-yl]-N-methylcarbamate;1,3-thiazol-5-ylmethyl N-[(E)-5-benzyl-9-methyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenyldec-3-en-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[methyl-[3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate (CID 159896363) is 1,3-thiazol-5-ylmethyl N-[5-benzyl-10-hydroxy-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-methoxy-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-9-methoxy-8-[[methyl(1,3-thiazol-5-ylmethyl)carbamoyl]amino]-7-oxo-1-phenylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-9-methyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenyldecan-2-yl]-N-methylcarbamate;1,3-thiazol-5-ylmethyl N-[(E)-5-benzyl-9-methyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenyldec-3-en-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[methyl-[3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate.
What is the SMILES notation for 1,3-thiazol-5-ylmethyl N-[5-benzyl-10-hydroxy-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-methoxy-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-9-methoxy-8-[[methyl(1,3-thiazol-5-ylmethyl)carbamoyl]amino]-7-oxo-1-phenylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-9-methyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenyldecan-2-yl]-N-methylcarbamate;1,3-thiazol-5-ylmethyl N-[(E)-5-benzyl-9-methyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenyldec-3-en-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[methyl-[3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate?
The canonical SMILES for 1,3-thiazol-5-ylmethyl N-[5-benzyl-10-hydroxy-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-methoxy-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-9-methoxy-8-[[methyl(1,3-thiazol-5-ylmethyl)carbamoyl]amino]-7-oxo-1-phenylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-9-methyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenyldecan-2-yl]-N-methylcarbamate;1,3-thiazol-5-ylmethyl N-[(E)-5-benzyl-9-methyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenyldec-3-en-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[methyl-[3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate is CC(C)c1nc(CN(C)C(=O)NC(C(=O)CC(/C=C/C(Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)C(C)C)cs1.CC(C)c1nc(CN(C)C(=O)NC(C(=O)CC(CCC(Cc2ccccc2)N(C)C(=O)OCc2cncs2)Cc2ccccc2)C(C)C)cs1.CC(C)c1nc(CN(C)C(=O)NC(C(=O)N(C)C(CCC(Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)C(C)C)cs1.CC(C)c1nc(CN(C)C(=O)NC(CCO)C(=O)CC(CCC(Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1.COCC(NC(=O)N(C)Cc1cncs1)C(=O)CC(CCC(Cc1ccccc1)NC(=O)OCc1cncs1)Cc1ccccc1.COCC(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-10-hydroxy-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-methoxy-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-9-methoxy-8-[[methyl(1,3-thiazol-5-ylmethyl)carbamoyl]amino]-7-oxo-1-phenylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-9-methyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenyldecan-2-yl]-N-methylcarbamate;1,3-thiazol-5-ylmethyl N-[(E)-5-benzyl-9-methyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenyldec-3-en-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[methyl-[3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate?
The InChIKey is NVJVWYNBMSBGMR-RNLYSOKLSA-N. The full InChI is InChI=1S/C39H51N5O4S2.C38H50N6O4S2.C38H47N5O4S2.2C37H47N5O5S2.C34H41N5O5S2/c1-27(2)36(42-38(46)43(5)23-32-25-49-37(41-32)28(3)4)35(45)21-31(19-29-13-9-7-10-14-29)17-18-33(20-30-15-11-8-12-16-30)44(6)39(47)48-24-34-22-40-26-50-34;1-26(2)34(42-37(46)43(5)22-31-24-49-35(40-31)27(3)4)36(45)44(6)32(20-29-15-11-8-12-16-29)18-17-30(19-28-13-9-7-10-14-28)41-38(47)48-23-33-21-39-25-50-33;1-26(2)35(42-37(45)43(5)22-32-24-48-36(40-32)27(3)4)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)47-23-33-21-39-25-49-33;1-26(2)35-39-31(24-48-35)21-42(3)36(44)41-33(23-46-4)34(43)19-29(17-27-11-7-5-8-12-27)15-16-30(18-28-13-9-6-10-14-28)40-37(45)47-22-32-20-38-25-49-32;1-26(2)35-39-31(24-48-35)22-42(3)36(45)41-33(16-17-43)34(44)20-29(18-27-10-6-4-7-11-27)14-15-30(19-28-12-8-5-9-13-28)40-37(46)47-23-32-21-38-25-49-32;1-39(20-29-18-35-23-45-29)33(41)38-31(22-43-2)32(40)17-27(15-25-9-5-3-6-10-25)13-14-28(16-26-11-7-4-8-12-26)37-34(42)44-21-30-19-36-24-46-30/h7-16,22,25-28,31,33,36H,17-21,23-24H2,1-6H3,(H,42,46);7-16,21,24-27,30,32,34H,17-20,22-23H2,1-6H3,(H,41,47)(H,42,46);6-17,21,24-27,30-31,35H,18-20,22-23H2,1-5H3,(H,41,46)(H,42,45);5-14,20,24-26,29-30,33H,15-19,21-23H2,1-4H3,(H,40,45)(H,41,44);4-13,21,24-26,29-30,33,43H,14-20,22-23H2,1-3H3,(H,40,46)(H,41,45);3-12,18-19,23-24,27-28,31H,13-17,20-22H2,1-2H3,(H,37,42)(H,38,41)/b;;17-16+;;;.
What are the key properties of 1,3-thiazol-5-ylmethyl N-[5-benzyl-10-hydroxy-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-methoxy-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-9-methoxy-8-[[methyl(1,3-thiazol-5-ylmethyl)carbamoyl]amino]-7-oxo-1-phenylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-9-methyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenyldecan-2-yl]-N-methylcarbamate;1,3-thiazol-5-ylmethyl N-[(E)-5-benzyl-9-methyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenyldec-3-en-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[methyl-[3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate?
1,3-thiazol-5-ylmethyl N-[5-benzyl-10-hydroxy-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-methoxy-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-9-methoxy-8-[[methyl(1,3-thiazol-5-ylmethyl)carbamoyl]amino]-7-oxo-1-phenylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-9-methyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenyldecan-2-yl]-N-methylcarbamate;1,3-thiazol-5-ylmethyl N-[(E)-5-benzyl-9-methyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenyldec-3-en-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[methyl-[3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate has a molecular weight of 4214.71 g/mol, XLogP of 43.10, 108 rotatable bonds, 12 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-thiazol-5-ylmethyl N-[5-benzyl-10-hydroxy-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-methoxy-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-9-methoxy-8-[[methyl(1,3-thiazol-5-ylmethyl)carbamoyl]amino]-7-oxo-1-phenylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-9-methyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenyldecan-2-yl]-N-methylcarbamate;1,3-thiazol-5-ylmethyl N-[(E)-5-benzyl-9-methyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenyldec-3-en-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[methyl-[3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate is sourced from PubChem (CID 159896363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).