(2R)-2-benzyl-5-[[(2R)-8-(dimethylamino)-4-oxo-2-(2-phenylethyl)octanoyl]amino]-7-methyl-N-[4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]-4-oxooctanamide;(2R)-2-benzyl-5-[[(2R)-5-(dimethylamino)-4-oxo-2-(2-phenylethyl)pentanoyl]amino]-7-methyl-N-[4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]-4-oxooctanamide;(2R)-N-[(7R)-7-benzyl-2-methyl-8-[[4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]-13-(dimethylamino)-4-oxo-2-(2-phenylethyl)tridecanamide;(2R)-N-[(7R)-7-benzyl-2-methyl-8-[[4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]-11-(4-methylpiperazin-1-yl)-4-oxo-2-(2-phenylethyl)undecanamide;(2R)-2-benzyl-7-methyl-N-[4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]-4-oxo-5-[[(2R)-4-oxo-2-(2-phenylethyl)-5-piperidin-1-ylpentanoyl]amino]octanamide

C228H338N16O25 — CID 158161178

IUPAC(2R)-2-benzyl-5-[[(2R)-8-(dimethylamino)-4-oxo-2-(2-phenylethyl)octanoyl]amino]-7-methyl-N-[4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]-4-oxooctanamide;(2R)-2-benzyl-5-[[(2R)-5-(dimethylamino)-4-oxo-2-(2-phenylethyl)pentanoyl]amino]-7-methyl-N-[4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]-4-oxooctanamide;(2R)-N-[(7R)-7-benzyl-2-methyl-8-[[4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]-13-(dimethylamino)-4-oxo-2-(2-phenylethyl)tridecanamide;(2R)-N-[(7R)-7-benzyl-2-methyl-8-[[4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]-11-(4-methylpiperazin-1-yl)-4-oxo-2-(2-phenylethyl)undecanamide;(2R)-2-benzyl-7-methyl-N-[4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]-4-oxo-5-[[(2R)-4-oxo-2-(2-phenylethyl)-5-piperidin-1-ylpentanoyl]amino]octanamide
SMILESCC(C)CC(NC(=O)C(CCc1ccccc1)CC(=O)CCCCCCCCCN(C)C)C(=O)C[C@@H](Cc1ccccc1)C(=O)NC(CC(C)C)C(=O)C1(C)CC1.CC(C)CC(NC(=O)C(CCc1ccccc1)CC(=O)CN1CCCCC1)C(=O)C[C@@H](Cc1ccccc1)C(=O)NC(CC(C)C)C(=O)C1(C)CC1.CC(C)CC(NC(=O)[C@H](CCc1ccccc1)CC(=O)CCCCCCCN1CCN(C)CC1)C(=O)C[C@@H](Cc1ccccc1)C(=O)NC(CC(C)C)C(=O)C1(C)CC1.CC(C)CC(NC(=O)[C@H](CCc1ccccc1)CC(=O)CCCCN(C)C)C(=O)C[C@@H](Cc1ccccc1)C(=O)NC(CC(C)C)C(=O)C1(C)CC1.CC(C)CC(NC(=O)[C@H](CCc1ccccc1)CC(=O)CN(C)C)C(=O)C[C@@H](Cc1ccccc1)C(=O)NC(CC(C)C)C(=O)C1(C)CC1
InChIInChI=1S/C50H76N4O5.C49H75N3O5.C44H63N3O5.C44H65N3O5.C41H59N3O5/c1-37(2)32-44(46(56)36-42(34-40-20-14-11-15-21-40)49(59)52-45(33-38(3)4)47(57)50(5)25-26-50)51-48(58)41(24-23-39-18-12-10-13-19-39)35-43(55)22-16-8-7-9-17-27-54-30-28-53(6)29-31-54;1-36(2)31-43(45(54)35-41(33-39-23-17-14-18-24-39)48(57)51-44(32-37(3)4)46(55)49(5)28-29-49)50-47(56)40(27-26-38-21-15-13-16-22-38)34-42(53)25-19-11-9-8-10-12-20-30-52(6)7;1-31(2)25-38(45-42(51)35(20-19-33-15-9-6-10-16-33)28-37(48)30-47-23-13-8-14-24-47)40(49)29-36(27-34-17-11-7-12-18-34)43(52)46-39(26-32(3)4)41(50)44(5)21-22-44;1-31(2)26-38(45-42(51)35(22-21-33-16-10-8-11-17-33)29-37(48)20-14-15-25-47(6)7)40(49)30-36(28-34-18-12-9-13-19-34)43(52)46-39(27-32(3)4)41(50)44(5)23-24-44;1-28(2)22-35(42-39(48)32(25-34(45)27-44(6)7)19-18-30-14-10-8-11-15-30)37(46)26-33(24-31-16-12-9-13-17-31)40(49)43-36(23-29(3)4)38(47)41(5)20-21-41/h10-15,18-21,37-38,41-42,44-45H,7-9,16-17,22-36H2,1-6H3,(H,51,58)(H,52,59);13-18,21-24,36-37,40-41,43-44H,8-12,19-20,25-35H2,1-7H3,(H,50,56)(H,51,57);6-7,9-12,15-18,31-32,35-36,38-39H,8,13-14,19-30H2,1-5H3,(H,45,51)(H,46,52);8-13,16-19,31-32,35-36,38-39H,14-15,20-30H2,1-7H3,(H,45,51)(H,46,52);8-17,28-29,32-33,35-36H,18-27H2,1-7H3,(H,42,48)(H,43,49)/t41-,42-,44?,45?;40?,41-,43?,44?;35?,36-,38?,39?;35-,36-,38?,39?;32-,33-,35?,36?/m11111/s1
InChIKeyFWHFPYWJALHWFN-NGWQSRPJSA-N
MW3703.30 g/mol
LogP37.27
Rot. Bonds127

About (2R)-2-benzyl-5-[[(2R)-8-(dimethylamino)-4-oxo-2-(2-phenylethyl)octanoyl]amino]-7-methyl-N-[4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]-4-oxooctanamide;(2R)-2-benzyl-5-[[(2R)-5-(dimethylamino)-4-oxo-2-(2-phenylethyl)pentanoyl]amino]-7-methyl-N-[4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]-4-oxooctanamide;(2R)-N-[(7R)-7-benzyl-2-methyl-8-[[4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]-13-(dimethylamino)-4-oxo-2-(2-phenylethyl)tridecanamide;(2R)-N-[(7R)-7-benzyl-2-methyl-8-[[4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]-11-(4-methylpiperazin-1-yl)-4-oxo-2-(2-phenylethyl)undecanamide;(2R)-2-benzyl-7-methyl-N-[4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]-4-oxo-5-[[(2R)-4-oxo-2-(2-phenylethyl)-5-piperidin-1-ylpentanoyl]amino]octanamide

(2R)-2-benzyl-5-[[(2R)-8-(dimethylamino)-4-oxo-2-(2-phenylethyl)octanoyl]amino]-7-methyl-N-[4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]-4-oxooctanamide;(2R)-2-benzyl-5-[[(2R)-5-(dimethylamino)-4-oxo-2-(2-phenylethyl)pentanoyl]amino]-7-methyl-N-[4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]-4-oxooctanamide;(2R)-N-[(7R)-7-benzyl-2-methyl-8-[[4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]-13-(dimethylamino)-4-oxo-2-(2-phenylethyl)tridecanamide;(2R)-N-[(7R)-7-benzyl-2-methyl-8-[[4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]-11-(4-methylpiperazin-1-yl)-4-oxo-2-(2-phenylethyl)undecanamide;(2R)-2-benzyl-7-methyl-N-[4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]-4-oxo-5-[[(2R)-4-oxo-2-(2-phenylethyl)-5-piperidin-1-ylpentanoyl]amino]octanamide (PubChem CID 158161178) has the molecular formula C228H338N16O25 and a molecular weight of 3703.30 g/mol. Its IUPAC name is (2R)-2-benzyl-5-[[(2R)-8-(dimethylamino)-4-oxo-2-(2-phenylethyl)octanoyl]amino]-7-methyl-N-[4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]-4-oxooctanamide;(2R)-2-benzyl-5-[[(2R)-5-(dimethylamino)-4-oxo-2-(2-phenylethyl)pentanoyl]amino]-7-methyl-N-[4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]-4-oxooctanamide;(2R)-N-[(7R)-7-benzyl-2-methyl-8-[[4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]-13-(dimethylamino)-4-oxo-2-(2-phenylethyl)tridecanamide;(2R)-N-[(7R)-7-benzyl-2-methyl-8-[[4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]-11-(4-methylpiperazin-1-yl)-4-oxo-2-(2-phenylethyl)undecanamide;(2R)-2-benzyl-7-methyl-N-[4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]-4-oxo-5-[[(2R)-4-oxo-2-(2-phenylethyl)-5-piperidin-1-ylpentanoyl]amino]octanamide.

Molecular Properties

Compound Name(2R)-2-benzyl-5-[[(2R)-8-(dimethylamino)-4-oxo-2-(2-phenylethyl)octanoyl]amino]-7-methyl-N-[4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]-4-oxooctanamide;(2R)-2-benzyl-5-[[(2R)-5-(dimethylamino)-4-oxo-2-(2-phenylethyl)pentanoyl]amino]-7-methyl-N-[4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]-4-oxooctanamide;(2R)-N-[(7R)-7-benzyl-2-methyl-8-[[4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]-13-(dimethylamino)-4-oxo-2-(2-phenylethyl)tridecanamide;(2R)-N-[(7R)-7-benzyl-2-methyl-8-[[4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]-11-(4-methylpiperazin-1-yl)-4-oxo-2-(2-phenylethyl)undecanamide;(2R)-2-benzyl-7-methyl-N-[4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]-4-oxo-5-[[(2R)-4-oxo-2-(2-phenylethyl)-5-piperidin-1-ylpentanoyl]amino]octanamide
PubChem CID158161178
Molecular FormulaC228H338N16O25
Molecular Weight3703.30 g/mol
Exact Mass3700.57
IUPAC Name(2R)-2-benzyl-5-[[(2R)-8-(dimethylamino)-4-oxo-2-(2-phenylethyl)octanoyl]amino]-7-methyl-N-[4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]-4-oxooctanamide;(2R)-2-benzyl-5-[[(2R)-5-(dimethylamino)-4-oxo-2-(2-phenylethyl)pentanoyl]amino]-7-methyl-N-[4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]-4-oxooctanamide;(2R)-N-[(7R)-7-benzyl-2-methyl-8-[[4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]-13-(dimethylamino)-4-oxo-2-(2-phenylethyl)tridecanamide;(2R)-N-[(7R)-7-benzyl-2-methyl-8-[[4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]-11-(4-methylpiperazin-1-yl)-4-oxo-2-(2-phenylethyl)undecanamide;(2R)-2-benzyl-7-methyl-N-[4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]-4-oxo-5-[[(2R)-4-oxo-2-(2-phenylethyl)-5-piperidin-1-ylpentanoyl]amino]octanamide
SMILESCC(C)CC(NC(=O)C(CCc1ccccc1)CC(=O)CCCCCCCCCN(C)C)C(=O)C[C@@H](Cc1ccccc1)C(=O)NC(CC(C)C)C(=O)C1(C)CC1.CC(C)CC(NC(=O)C(CCc1ccccc1)CC(=O)CN1CCCCC1)C(=O)C[C@@H](Cc1ccccc1)C(=O)NC(CC(C)C)C(=O)C1(C)CC1.CC(C)CC(NC(=O)[C@H](CCc1ccccc1)CC(=O)CCCCCCCN1CCN(C)CC1)C(=O)C[C@@H](Cc1ccccc1)C(=O)NC(CC(C)C)C(=O)C1(C)CC1.CC(C)CC(NC(=O)[C@H](CCc1ccccc1)CC(=O)CCCCN(C)C)C(=O)C[C@@H](Cc1ccccc1)C(=O)NC(CC(C)C)C(=O)C1(C)CC1.CC(C)CC(NC(=O)[C@H](CCc1ccccc1)CC(=O)CN(C)C)C(=O)C[C@@H](Cc1ccccc1)C(=O)NC(CC(C)C)C(=O)C1(C)CC1
InChIInChI=1S/C50H76N4O5.C49H75N3O5.C44H63N3O5.C44H65N3O5.C41H59N3O5/c1-37(2)32-44(46(56)36-42(34-40-20-14-11-15-21-40)49(59)52-45(33-38(3)4)47(57)50(5)25-26-50)51-48(58)41(24-23-39-18-12-10-13-19-39)35-43(55)22-16-8-7-9-17-27-54-30-28-53(6)29-31-54;1-36(2)31-43(45(54)35-41(33-39-23-17-14-18-24-39)48(57)51-44(32-37(3)4)46(55)49(5)28-29-49)50-47(56)40(27-26-38-21-15-13-16-22-38)34-42(53)25-19-11-9-8-10-12-20-30-52(6)7;1-31(2)25-38(45-42(51)35(20-19-33-15-9-6-10-16-33)28-37(48)30-47-23-13-8-14-24-47)40(49)29-36(27-34-17-11-7-12-18-34)43(52)46-39(26-32(3)4)41(50)44(5)21-22-44;1-31(2)26-38(45-42(51)35(22-21-33-16-10-8-11-17-33)29-37(48)20-14-15-25-47(6)7)40(49)30-36(28-34-18-12-9-13-19-34)43(52)46-39(27-32(3)4)41(50)44(5)23-24-44;1-28(2)22-35(42-39(48)32(25-34(45)27-44(6)7)19-18-30-14-10-8-11-15-30)37(46)26-33(24-31-16-12-9-13-17-31)40(49)43-36(23-29(3)4)38(47)41(5)20-21-41/h10-15,18-21,37-38,41-42,44-45H,7-9,16-17,22-36H2,1-6H3,(H,51,58)(H,52,59);13-18,21-24,36-37,40-41,43-44H,8-12,19-20,25-35H2,1-7H3,(H,50,56)(H,51,57);6-7,9-12,15-18,31-32,35-36,38-39H,8,13-14,19-30H2,1-5H3,(H,45,51)(H,46,52);8-13,16-19,31-32,35-36,38-39H,14-15,20-30H2,1-7H3,(H,45,51)(H,46,52);8-17,28-29,32-33,35-36H,18-27H2,1-7H3,(H,42,48)(H,43,49)/t41-,42-,44?,45?;40?,41-,43?,44?;35?,36-,38?,39?;35-,36-,38?,39?;32-,33-,35?,36?/m11111/s1
InChIKeyFWHFPYWJALHWFN-NGWQSRPJSA-N
XLogP37.27
TPSA566.49 Ų
H-Bond Donors10
H-Bond Acceptors31
Rotatable Bonds127
Heavy Atoms269
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003703.30
LogP ≤ 537.27
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

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

Analyze (2R)-2-benzyl-5-[[(2R)-8-(dimethylamino)-4-oxo-2-(2-phenylethyl)octanoyl]amino]-7-methyl-N-[4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]-4-oxooctanamide;(2R)-2-benzyl-5-[[(2R)-5-(dimethylamino)-4-oxo-2-(2-phenylethyl)pentanoyl]amino]-7-methyl-N-[4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]-4-oxooctanamide;(2R)-N-[(7R)-7-benzyl-2-methyl-8-[[4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]-13-(dimethylamino)-4-oxo-2-(2-phenylethyl)tridecanamide;(2R)-N-[(7R)-7-benzyl-2-methyl-8-[[4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]-11-(4-methylpiperazin-1-yl)-4-oxo-2-(2-phenylethyl)undecanamide;(2R)-2-benzyl-7-methyl-N-[4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]-4-oxo-5-[[(2R)-4-oxo-2-(2-phenylethyl)-5-piperidin-1-ylpentanoyl]amino]octanamide with MolForge

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Launch Full Analysis

Related Compounds

(2R)-N-[(7R)-7-benzyl-2-methyl-8-[[4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]-4-oxo-2-(2-phenylethyl)-9-piperidin-1-ylnonanamide
CID 158533904
(2R)-N-[(4S)-7-benzyl-2-methyl-8-[[4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]-4-oxo-2-(2-phenylethyl)-9-piperidin-1-ylnonanamide
CID 158533898
N-[(4S,7R)-7-benzyl-2-methyl-8-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]-4-oxo-2-(2-phenylethyl)-13-piperidin-1-yltridecanamide
CID 159941219
(2R)-N-[(4S,7R)-7-benzyl-2-methyl-8-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]-11-(dimethylamino)-4-oxo-2-(2-phenylethyl)undecanamide
CID 158601160
(2R,5S)-2-benzyl-5-[[(2R)-7-(dimethylamino)-4-oxo-2-(2-phenylethyl)heptanoyl]amino]-7-methyl-N-[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]-4-oxooctanamide
CID 157302281
(5S)-2-benzyl-7-methyl-N-[4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]-5-[[(2R)-8-morpholin-4-yl-4-oxo-2-(2-phenylethyl)octanoyl]amino]-4-oxooctanamide
CID 158683204
(2R)-N-[(4S,7R)-7-benzyl-2-methyl-8-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]-9-(4-methylpiperazin-1-yl)-4-oxo-2-(2-phenylethyl)nonanamide;(2R,5S)-2-benzyl-7-methyl-N-[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]-5-[[(2R)-8-morpholin-4-yl-4-oxo-2-(2-phenylethyl)octanoyl]amino]-4-oxooctanamide;(2R,5S)-2-benzyl-7-methyl-N-[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]-5-[[(2R)-5-morpholin-4-yl-4-oxo-2-(2-phenylethyl)pentanoyl]amino]-4-oxooctanamide;(2R,5S)-2-benzyl-7-methyl-N-[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]-4-oxo-5-[[(2R)-4-oxo-2-(2-phenylethyl)-7-piperidin-1-ylheptanoyl]amino]octanamide;(2R,5S)-2-benzyl-7-methyl-N-[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]-4-oxo-5-[[(2S)-4-phenyl-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylmethyl]butanoyl]amino]octanamide
CID 158683212
(2R)-2-benzyl-7-methyl-N-[4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]-5-[[(2R)-7-morpholin-4-yl-4-oxo-2-(2-phenylethyl)heptanoyl]amino]-4-oxooctanamide
CID 158533901
(2S)-2-[[(2S)-2-[6-(dimethylamino)hexanoylamino]-4-phenylbutanoyl]amino]-4-methyl-N-[(2S)-1-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pentanamide;N-[(2S)-1-[[(2S)-4-methyl-1-[[(2S)-1-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl]-10-(4-methylpiperazin-1-yl)decanamide;N-[(2S)-1-[[(2S)-4-methyl-1-[[(2S)-1-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl]-8-morpholin-4-yloctanamide;N-[(2S)-1-[[(2S)-4-methyl-1-[[(2S)-1-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl]-10-piperidin-1-yldecanamide
CID 158276221
(2R,5S)-2-benzyl-7-methyl-N-[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]-5-[[(2R)-6-(4-methylpiperazin-1-yl)-4-oxo-2-(2-phenylethyl)hexanoyl]amino]-4-oxooctanamide;(2R,5S)-7-methyl-N-[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]-5-[[(2R)-5-morpholin-4-yl-4-oxo-2-(2-phenylethyl)pentanoyl]amino]-4-oxo-2-[[4-(trifluoromethyl)phenyl]methyl]octanamide
CID 159144973
(5S)-2-benzyl-5-[[(2R)-5-hydroxy-4-oxo-2-(2-phenylethyl)pentanoyl]amino]-7-methyl-N-[4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]-4-oxooctanamide
CID 158533894
N-[(4S,7R)-7-benzyl-2-methyl-8-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]-9-morpholin-4-yl-4-oxo-2-(2-phenylethyl)nonanamide
CID 158353688

Frequently Asked Questions

What is the IUPAC name of (2R)-2-benzyl-5-[[(2R)-8-(dimethylamino)-4-oxo-2-(2-phenylethyl)octanoyl]amino]-7-methyl-N-[4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]-4-oxooctanamide;(2R)-2-benzyl-5-[[(2R)-5-(dimethylamino)-4-oxo-2-(2-phenylethyl)pentanoyl]amino]-7-methyl-N-[4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]-4-oxooctanamide;(2R)-N-[(7R)-7-benzyl-2-methyl-8-[[4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]-13-(dimethylamino)-4-oxo-2-(2-phenylethyl)tridecanamide;(2R)-N-[(7R)-7-benzyl-2-methyl-8-[[4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]-11-(4-methylpiperazin-1-yl)-4-oxo-2-(2-phenylethyl)undecanamide;(2R)-2-benzyl-7-methyl-N-[4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]-4-oxo-5-[[(2R)-4-oxo-2-(2-phenylethyl)-5-piperidin-1-ylpentanoyl]amino]octanamide?
The IUPAC name of (2R)-2-benzyl-5-[[(2R)-8-(dimethylamino)-4-oxo-2-(2-phenylethyl)octanoyl]amino]-7-methyl-N-[4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]-4-oxooctanamide;(2R)-2-benzyl-5-[[(2R)-5-(dimethylamino)-4-oxo-2-(2-phenylethyl)pentanoyl]amino]-7-methyl-N-[4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]-4-oxooctanamide;(2R)-N-[(7R)-7-benzyl-2-methyl-8-[[4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]-13-(dimethylamino)-4-oxo-2-(2-phenylethyl)tridecanamide;(2R)-N-[(7R)-7-benzyl-2-methyl-8-[[4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]-11-(4-methylpiperazin-1-yl)-4-oxo-2-(2-phenylethyl)undecanamide;(2R)-2-benzyl-7-methyl-N-[4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]-4-oxo-5-[[(2R)-4-oxo-2-(2-phenylethyl)-5-piperidin-1-ylpentanoyl]amino]octanamide (CID 158161178) is (2R)-2-benzyl-5-[[(2R)-8-(dimethylamino)-4-oxo-2-(2-phenylethyl)octanoyl]amino]-7-methyl-N-[4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]-4-oxooctanamide;(2R)-2-benzyl-5-[[(2R)-5-(dimethylamino)-4-oxo-2-(2-phenylethyl)pentanoyl]amino]-7-methyl-N-[4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]-4-oxooctanamide;(2R)-N-[(7R)-7-benzyl-2-methyl-8-[[4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]-13-(dimethylamino)-4-oxo-2-(2-phenylethyl)tridecanamide;(2R)-N-[(7R)-7-benzyl-2-methyl-8-[[4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]-11-(4-methylpiperazin-1-yl)-4-oxo-2-(2-phenylethyl)undecanamide;(2R)-2-benzyl-7-methyl-N-[4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]-4-oxo-5-[[(2R)-4-oxo-2-(2-phenylethyl)-5-piperidin-1-ylpentanoyl]amino]octanamide.
What is the SMILES notation for (2R)-2-benzyl-5-[[(2R)-8-(dimethylamino)-4-oxo-2-(2-phenylethyl)octanoyl]amino]-7-methyl-N-[4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]-4-oxooctanamide;(2R)-2-benzyl-5-[[(2R)-5-(dimethylamino)-4-oxo-2-(2-phenylethyl)pentanoyl]amino]-7-methyl-N-[4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]-4-oxooctanamide;(2R)-N-[(7R)-7-benzyl-2-methyl-8-[[4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]-13-(dimethylamino)-4-oxo-2-(2-phenylethyl)tridecanamide;(2R)-N-[(7R)-7-benzyl-2-methyl-8-[[4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]-11-(4-methylpiperazin-1-yl)-4-oxo-2-(2-phenylethyl)undecanamide;(2R)-2-benzyl-7-methyl-N-[4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]-4-oxo-5-[[(2R)-4-oxo-2-(2-phenylethyl)-5-piperidin-1-ylpentanoyl]amino]octanamide?
The canonical SMILES for (2R)-2-benzyl-5-[[(2R)-8-(dimethylamino)-4-oxo-2-(2-phenylethyl)octanoyl]amino]-7-methyl-N-[4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]-4-oxooctanamide;(2R)-2-benzyl-5-[[(2R)-5-(dimethylamino)-4-oxo-2-(2-phenylethyl)pentanoyl]amino]-7-methyl-N-[4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]-4-oxooctanamide;(2R)-N-[(7R)-7-benzyl-2-methyl-8-[[4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]-13-(dimethylamino)-4-oxo-2-(2-phenylethyl)tridecanamide;(2R)-N-[(7R)-7-benzyl-2-methyl-8-[[4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]-11-(4-methylpiperazin-1-yl)-4-oxo-2-(2-phenylethyl)undecanamide;(2R)-2-benzyl-7-methyl-N-[4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]-4-oxo-5-[[(2R)-4-oxo-2-(2-phenylethyl)-5-piperidin-1-ylpentanoyl]amino]octanamide is CC(C)CC(NC(=O)C(CCc1ccccc1)CC(=O)CCCCCCCCCN(C)C)C(=O)C[C@@H](Cc1ccccc1)C(=O)NC(CC(C)C)C(=O)C1(C)CC1.CC(C)CC(NC(=O)C(CCc1ccccc1)CC(=O)CN1CCCCC1)C(=O)C[C@@H](Cc1ccccc1)C(=O)NC(CC(C)C)C(=O)C1(C)CC1.CC(C)CC(NC(=O)[C@H](CCc1ccccc1)CC(=O)CCCCCCCN1CCN(C)CC1)C(=O)C[C@@H](Cc1ccccc1)C(=O)NC(CC(C)C)C(=O)C1(C)CC1.CC(C)CC(NC(=O)[C@H](CCc1ccccc1)CC(=O)CCCCN(C)C)C(=O)C[C@@H](Cc1ccccc1)C(=O)NC(CC(C)C)C(=O)C1(C)CC1.CC(C)CC(NC(=O)[C@H](CCc1ccccc1)CC(=O)CN(C)C)C(=O)C[C@@H](Cc1ccccc1)C(=O)NC(CC(C)C)C(=O)C1(C)CC1.
What is the InChIKey of (2R)-2-benzyl-5-[[(2R)-8-(dimethylamino)-4-oxo-2-(2-phenylethyl)octanoyl]amino]-7-methyl-N-[4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]-4-oxooctanamide;(2R)-2-benzyl-5-[[(2R)-5-(dimethylamino)-4-oxo-2-(2-phenylethyl)pentanoyl]amino]-7-methyl-N-[4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]-4-oxooctanamide;(2R)-N-[(7R)-7-benzyl-2-methyl-8-[[4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]-13-(dimethylamino)-4-oxo-2-(2-phenylethyl)tridecanamide;(2R)-N-[(7R)-7-benzyl-2-methyl-8-[[4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]-11-(4-methylpiperazin-1-yl)-4-oxo-2-(2-phenylethyl)undecanamide;(2R)-2-benzyl-7-methyl-N-[4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]-4-oxo-5-[[(2R)-4-oxo-2-(2-phenylethyl)-5-piperidin-1-ylpentanoyl]amino]octanamide?
The InChIKey is FWHFPYWJALHWFN-NGWQSRPJSA-N. The full InChI is InChI=1S/C50H76N4O5.C49H75N3O5.C44H63N3O5.C44H65N3O5.C41H59N3O5/c1-37(2)32-44(46(56)36-42(34-40-20-14-11-15-21-40)49(59)52-45(33-38(3)4)47(57)50(5)25-26-50)51-48(58)41(24-23-39-18-12-10-13-19-39)35-43(55)22-16-8-7-9-17-27-54-30-28-53(6)29-31-54;1-36(2)31-43(45(54)35-41(33-39-23-17-14-18-24-39)48(57)51-44(32-37(3)4)46(55)49(5)28-29-49)50-47(56)40(27-26-38-21-15-13-16-22-38)34-42(53)25-19-11-9-8-10-12-20-30-52(6)7;1-31(2)25-38(45-42(51)35(20-19-33-15-9-6-10-16-33)28-37(48)30-47-23-13-8-14-24-47)40(49)29-36(27-34-17-11-7-12-18-34)43(52)46-39(26-32(3)4)41(50)44(5)21-22-44;1-31(2)26-38(45-42(51)35(22-21-33-16-10-8-11-17-33)29-37(48)20-14-15-25-47(6)7)40(49)30-36(28-34-18-12-9-13-19-34)43(52)46-39(27-32(3)4)41(50)44(5)23-24-44;1-28(2)22-35(42-39(48)32(25-34(45)27-44(6)7)19-18-30-14-10-8-11-15-30)37(46)26-33(24-31-16-12-9-13-17-31)40(49)43-36(23-29(3)4)38(47)41(5)20-21-41/h10-15,18-21,37-38,41-42,44-45H,7-9,16-17,22-36H2,1-6H3,(H,51,58)(H,52,59);13-18,21-24,36-37,40-41,43-44H,8-12,19-20,25-35H2,1-7H3,(H,50,56)(H,51,57);6-7,9-12,15-18,31-32,35-36,38-39H,8,13-14,19-30H2,1-5H3,(H,45,51)(H,46,52);8-13,16-19,31-32,35-36,38-39H,14-15,20-30H2,1-7H3,(H,45,51)(H,46,52);8-17,28-29,32-33,35-36H,18-27H2,1-7H3,(H,42,48)(H,43,49)/t41-,42-,44?,45?;40?,41-,43?,44?;35?,36-,38?,39?;35-,36-,38?,39?;32-,33-,35?,36?/m11111/s1.
What are the key properties of (2R)-2-benzyl-5-[[(2R)-8-(dimethylamino)-4-oxo-2-(2-phenylethyl)octanoyl]amino]-7-methyl-N-[4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]-4-oxooctanamide;(2R)-2-benzyl-5-[[(2R)-5-(dimethylamino)-4-oxo-2-(2-phenylethyl)pentanoyl]amino]-7-methyl-N-[4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]-4-oxooctanamide;(2R)-N-[(7R)-7-benzyl-2-methyl-8-[[4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]-13-(dimethylamino)-4-oxo-2-(2-phenylethyl)tridecanamide;(2R)-N-[(7R)-7-benzyl-2-methyl-8-[[4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]-11-(4-methylpiperazin-1-yl)-4-oxo-2-(2-phenylethyl)undecanamide;(2R)-2-benzyl-7-methyl-N-[4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]-4-oxo-5-[[(2R)-4-oxo-2-(2-phenylethyl)-5-piperidin-1-ylpentanoyl]amino]octanamide?
(2R)-2-benzyl-5-[[(2R)-8-(dimethylamino)-4-oxo-2-(2-phenylethyl)octanoyl]amino]-7-methyl-N-[4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]-4-oxooctanamide;(2R)-2-benzyl-5-[[(2R)-5-(dimethylamino)-4-oxo-2-(2-phenylethyl)pentanoyl]amino]-7-methyl-N-[4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]-4-oxooctanamide;(2R)-N-[(7R)-7-benzyl-2-methyl-8-[[4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]-13-(dimethylamino)-4-oxo-2-(2-phenylethyl)tridecanamide;(2R)-N-[(7R)-7-benzyl-2-methyl-8-[[4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]-11-(4-methylpiperazin-1-yl)-4-oxo-2-(2-phenylethyl)undecanamide;(2R)-2-benzyl-7-methyl-N-[4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]-4-oxo-5-[[(2R)-4-oxo-2-(2-phenylethyl)-5-piperidin-1-ylpentanoyl]amino]octanamide has a molecular weight of 3703.30 g/mol, XLogP of 37.27, 127 rotatable bonds, 10 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-benzyl-5-[[(2R)-8-(dimethylamino)-4-oxo-2-(2-phenylethyl)octanoyl]amino]-7-methyl-N-[4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]-4-oxooctanamide;(2R)-2-benzyl-5-[[(2R)-5-(dimethylamino)-4-oxo-2-(2-phenylethyl)pentanoyl]amino]-7-methyl-N-[4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]-4-oxooctanamide;(2R)-N-[(7R)-7-benzyl-2-methyl-8-[[4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]-13-(dimethylamino)-4-oxo-2-(2-phenylethyl)tridecanamide;(2R)-N-[(7R)-7-benzyl-2-methyl-8-[[4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]-11-(4-methylpiperazin-1-yl)-4-oxo-2-(2-phenylethyl)undecanamide;(2R)-2-benzyl-7-methyl-N-[4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]-4-oxo-5-[[(2R)-4-oxo-2-(2-phenylethyl)-5-piperidin-1-ylpentanoyl]amino]octanamide is sourced from PubChem (CID 158161178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).