2-benzyl-N-[(2S)-1-[[(3R)-1-cyclohexyl-3,4-dihydroxyhex-5-en-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-[2-(diethylamino)ethyl]-N'-methylbutanediamide;2-benzyl-N-[(2S)-1-[[(3R)-1-cyclohexyl-3,4-dihydroxyhex-5-en-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-[2-[ethyl(methyl)amino]ethyl]-N'-methylbutanediamide;2-benzyl-N-[(2S)-1-[[(3R)-1-cyclohexyl-3,4-dihydroxyhex-5-en-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-methyl-N'-[2-(methylamino)ethyl]butanediamide;2-benzyl-N-[(2S)-1-[[(3R)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-1-oxohex-4-yn-2-yl]-N'-[2-(diethylamino)ethyl]-N'-methylbutanediamide;2-benzyl-N-[(2S)-1-[[(3R)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-1-oxohex-4-yn-2-yl]-N'-[2-(dimethylamino)ethyl]-N'-methylbutanediamide;2-benzyl-N-[(2S)-1-[[(3R)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-1-oxohex-4-yn-2-yl]-N'-[2-[ethyl(methyl)amino]ethyl]-N'-methylbutanediamide

C212H334N24O30 — CID 162033495

IUPAC2-benzyl-N-[(2S)-1-[[(3R)-1-cyclohexyl-3,4-dihydroxyhex-5-en-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-[2-(diethylamino)ethyl]-N'-methylbutanediamide;2-benzyl-N-[(2S)-1-[[(3R)-1-cyclohexyl-3,4-dihydroxyhex-5-en-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-[2-[ethyl(methyl)amino]ethyl]-N'-methylbutanediamide;2-benzyl-N-[(2S)-1-[[(3R)-1-cyclohexyl-3,4-dihydroxyhex-5-en-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-methyl-N'-[2-(methylamino)ethyl]butanediamide;2-benzyl-N-[(2S)-1-[[(3R)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-1-oxohex-4-yn-2-yl]-N'-[2-(diethylamino)ethyl]-N'-methylbutanediamide;2-benzyl-N-[(2S)-1-[[(3R)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-1-oxohex-4-yn-2-yl]-N'-[2-(dimethylamino)ethyl]-N'-methylbutanediamide;2-benzyl-N-[(2S)-1-[[(3R)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-1-oxohex-4-yn-2-yl]-N'-[2-[ethyl(methyl)amino]ethyl]-N'-methylbutanediamide
SMILESC#CC[C@H](NC(=O)C(CC(=O)N(C)CCN(C)CC)Cc1ccccc1)C(=O)NC(CC1CCCCC1)[C@@H](O)C(O)C=C.C#CC[C@H](NC(=O)C(CC(=O)N(C)CCN(CC)CC)Cc1ccccc1)C(=O)NC(CC1CCCCC1)[C@@H](O)C(O)C=C.C#CC[C@H](NC(=O)C(CC(=O)N(C)CCNC)Cc1ccccc1)C(=O)NC(CC1CCCCC1)[C@@H](O)C(O)C=C.CC#CC[C@H](NC(=O)C(CC(=O)N(C)CCN(C)C)Cc1ccccc1)C(=O)NC(CC1CCCCC1)[C@@H](O)C(O)CC(C)C.CC#CC[C@H](NC(=O)C(CC(=O)N(C)CCN(C)CC)Cc1ccccc1)C(=O)NC(CC1CCCCC1)[C@@H](O)C(O)CC(C)C.CC#CC[C@H](NC(=O)C(CC(=O)N(C)CCN(CC)CC)Cc1ccccc1)C(=O)NC(CC1CCCCC1)[C@@H](O)C(O)CC(C)C
InChIInChI=1S/C38H62N4O5.C37H60N4O5.C36H58N4O5.C35H54N4O5.C34H52N4O5.C32H48N4O5/c1-7-10-21-32(38(47)40-33(26-30-19-15-12-16-20-30)36(45)34(43)24-28(4)5)39-37(46)31(25-29-17-13-11-14-18-29)27-35(44)41(6)22-23-42(8-2)9-3;1-7-9-20-31(37(46)39-32(25-29-18-14-11-15-19-29)35(44)33(42)23-27(3)4)38-36(45)30(24-28-16-12-10-13-17-28)26-34(43)41(6)22-21-40(5)8-2;1-7-8-19-30(36(45)38-31(24-28-17-13-10-14-18-28)34(43)32(41)22-26(2)3)37-35(44)29(23-27-15-11-9-12-16-27)25-33(42)40(6)21-20-39(4)5;1-6-16-29(35(44)37-30(33(42)31(40)7-2)24-27-19-14-11-15-20-27)36-34(43)28(23-26-17-12-10-13-18-26)25-32(41)38(5)21-22-39(8-3)9-4;1-6-15-28(34(43)36-29(32(41)30(39)7-2)23-26-18-13-10-14-19-26)35-33(42)27(22-25-16-11-9-12-17-25)24-31(40)38(5)21-20-37(4)8-3;1-5-13-26(32(41)35-27(30(39)28(37)6-2)21-24-16-11-8-12-17-24)34-31(40)25(20-23-14-9-7-10-15-23)22-29(38)36(4)19-18-33-3/h11,13-14,17-18,28,30-34,36,43,45H,8-9,12,15-16,19-27H2,1-6H3,(H,39,46)(H,40,47);10,12-13,16-17,27,29-33,35,42,44H,8,11,14-15,18-26H2,1-6H3,(H,38,45)(H,39,46);9,11-12,15-16,26,28-32,34,41,43H,10,13-14,17-25H2,1-6H3,(H,37,44)(H,38,45);1,7,10,12-13,17-18,27-31,33,40,42H,2,8-9,11,14-16,19-25H2,3-5H3,(H,36,43)(H,37,44);1,7,9,11-12,16-17,26-30,32,39,41H,2,8,10,13-15,18-24H2,3-5H3,(H,35,42)(H,36,43);1,6-7,9-10,14-15,24-28,30,33,37,39H,2,8,11-13,16-22H2,3-4H3,(H,34,40)(H,35,41)/t31?,32-,33?,34?,36+;30?,31-,32?,33?,35+;29?,30-,31?,32?,34+;28?,29-,30?,31?,33+;27?,28-,29?,30?,32+;25?,26-,27?,28?,30+/m000000/s1
InChIKeyYWIOHKNSVJQPJB-YGMZDXAVSA-N
MW3699.14 g/mol
LogP18.51
Rot. Bonds111

About 2-benzyl-N-[(2S)-1-[[(3R)-1-cyclohexyl-3,4-dihydroxyhex-5-en-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-[2-(diethylamino)ethyl]-N'-methylbutanediamide;2-benzyl-N-[(2S)-1-[[(3R)-1-cyclohexyl-3,4-dihydroxyhex-5-en-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-[2-[ethyl(methyl)amino]ethyl]-N'-methylbutanediamide;2-benzyl-N-[(2S)-1-[[(3R)-1-cyclohexyl-3,4-dihydroxyhex-5-en-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-methyl-N'-[2-(methylamino)ethyl]butanediamide;2-benzyl-N-[(2S)-1-[[(3R)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-1-oxohex-4-yn-2-yl]-N'-[2-(diethylamino)ethyl]-N'-methylbutanediamide;2-benzyl-N-[(2S)-1-[[(3R)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-1-oxohex-4-yn-2-yl]-N'-[2-(dimethylamino)ethyl]-N'-methylbutanediamide;2-benzyl-N-[(2S)-1-[[(3R)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-1-oxohex-4-yn-2-yl]-N'-[2-[ethyl(methyl)amino]ethyl]-N'-methylbutanediamide

2-benzyl-N-[(2S)-1-[[(3R)-1-cyclohexyl-3,4-dihydroxyhex-5-en-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-[2-(diethylamino)ethyl]-N'-methylbutanediamide;2-benzyl-N-[(2S)-1-[[(3R)-1-cyclohexyl-3,4-dihydroxyhex-5-en-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-[2-[ethyl(methyl)amino]ethyl]-N'-methylbutanediamide;2-benzyl-N-[(2S)-1-[[(3R)-1-cyclohexyl-3,4-dihydroxyhex-5-en-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-methyl-N'-[2-(methylamino)ethyl]butanediamide;2-benzyl-N-[(2S)-1-[[(3R)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-1-oxohex-4-yn-2-yl]-N'-[2-(diethylamino)ethyl]-N'-methylbutanediamide;2-benzyl-N-[(2S)-1-[[(3R)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-1-oxohex-4-yn-2-yl]-N'-[2-(dimethylamino)ethyl]-N'-methylbutanediamide;2-benzyl-N-[(2S)-1-[[(3R)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-1-oxohex-4-yn-2-yl]-N'-[2-[ethyl(methyl)amino]ethyl]-N'-methylbutanediamide (PubChem CID 162033495) has the molecular formula C212H334N24O30 and a molecular weight of 3699.14 g/mol. Its IUPAC name is 2-benzyl-N-[(2S)-1-[[(3R)-1-cyclohexyl-3,4-dihydroxyhex-5-en-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-[2-(diethylamino)ethyl]-N'-methylbutanediamide;2-benzyl-N-[(2S)-1-[[(3R)-1-cyclohexyl-3,4-dihydroxyhex-5-en-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-[2-[ethyl(methyl)amino]ethyl]-N'-methylbutanediamide;2-benzyl-N-[(2S)-1-[[(3R)-1-cyclohexyl-3,4-dihydroxyhex-5-en-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-methyl-N'-[2-(methylamino)ethyl]butanediamide;2-benzyl-N-[(2S)-1-[[(3R)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-1-oxohex-4-yn-2-yl]-N'-[2-(diethylamino)ethyl]-N'-methylbutanediamide;2-benzyl-N-[(2S)-1-[[(3R)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-1-oxohex-4-yn-2-yl]-N'-[2-(dimethylamino)ethyl]-N'-methylbutanediamide;2-benzyl-N-[(2S)-1-[[(3R)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-1-oxohex-4-yn-2-yl]-N'-[2-[ethyl(methyl)amino]ethyl]-N'-methylbutanediamide.

Molecular Properties

Compound Name2-benzyl-N-[(2S)-1-[[(3R)-1-cyclohexyl-3,4-dihydroxyhex-5-en-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-[2-(diethylamino)ethyl]-N'-methylbutanediamide;2-benzyl-N-[(2S)-1-[[(3R)-1-cyclohexyl-3,4-dihydroxyhex-5-en-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-[2-[ethyl(methyl)amino]ethyl]-N'-methylbutanediamide;2-benzyl-N-[(2S)-1-[[(3R)-1-cyclohexyl-3,4-dihydroxyhex-5-en-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-methyl-N'-[2-(methylamino)ethyl]butanediamide;2-benzyl-N-[(2S)-1-[[(3R)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-1-oxohex-4-yn-2-yl]-N'-[2-(diethylamino)ethyl]-N'-methylbutanediamide;2-benzyl-N-[(2S)-1-[[(3R)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-1-oxohex-4-yn-2-yl]-N'-[2-(dimethylamino)ethyl]-N'-methylbutanediamide;2-benzyl-N-[(2S)-1-[[(3R)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-1-oxohex-4-yn-2-yl]-N'-[2-[ethyl(methyl)amino]ethyl]-N'-methylbutanediamide
PubChem CID162033495
Molecular FormulaC212H334N24O30
Molecular Weight3699.14 g/mol
Exact Mass3696.53
IUPAC Name2-benzyl-N-[(2S)-1-[[(3R)-1-cyclohexyl-3,4-dihydroxyhex-5-en-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-[2-(diethylamino)ethyl]-N'-methylbutanediamide;2-benzyl-N-[(2S)-1-[[(3R)-1-cyclohexyl-3,4-dihydroxyhex-5-en-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-[2-[ethyl(methyl)amino]ethyl]-N'-methylbutanediamide;2-benzyl-N-[(2S)-1-[[(3R)-1-cyclohexyl-3,4-dihydroxyhex-5-en-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-methyl-N'-[2-(methylamino)ethyl]butanediamide;2-benzyl-N-[(2S)-1-[[(3R)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-1-oxohex-4-yn-2-yl]-N'-[2-(diethylamino)ethyl]-N'-methylbutanediamide;2-benzyl-N-[(2S)-1-[[(3R)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-1-oxohex-4-yn-2-yl]-N'-[2-(dimethylamino)ethyl]-N'-methylbutanediamide;2-benzyl-N-[(2S)-1-[[(3R)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-1-oxohex-4-yn-2-yl]-N'-[2-[ethyl(methyl)amino]ethyl]-N'-methylbutanediamide
SMILESC#CC[C@H](NC(=O)C(CC(=O)N(C)CCN(C)CC)Cc1ccccc1)C(=O)NC(CC1CCCCC1)[C@@H](O)C(O)C=C.C#CC[C@H](NC(=O)C(CC(=O)N(C)CCN(CC)CC)Cc1ccccc1)C(=O)NC(CC1CCCCC1)[C@@H](O)C(O)C=C.C#CC[C@H](NC(=O)C(CC(=O)N(C)CCNC)Cc1ccccc1)C(=O)NC(CC1CCCCC1)[C@@H](O)C(O)C=C.CC#CC[C@H](NC(=O)C(CC(=O)N(C)CCN(C)C)Cc1ccccc1)C(=O)NC(CC1CCCCC1)[C@@H](O)C(O)CC(C)C.CC#CC[C@H](NC(=O)C(CC(=O)N(C)CCN(C)CC)Cc1ccccc1)C(=O)NC(CC1CCCCC1)[C@@H](O)C(O)CC(C)C.CC#CC[C@H](NC(=O)C(CC(=O)N(C)CCN(CC)CC)Cc1ccccc1)C(=O)NC(CC1CCCCC1)[C@@H](O)C(O)CC(C)C
InChIInChI=1S/C38H62N4O5.C37H60N4O5.C36H58N4O5.C35H54N4O5.C34H52N4O5.C32H48N4O5/c1-7-10-21-32(38(47)40-33(26-30-19-15-12-16-20-30)36(45)34(43)24-28(4)5)39-37(46)31(25-29-17-13-11-14-18-29)27-35(44)41(6)22-23-42(8-2)9-3;1-7-9-20-31(37(46)39-32(25-29-18-14-11-15-19-29)35(44)33(42)23-27(3)4)38-36(45)30(24-28-16-12-10-13-17-28)26-34(43)41(6)22-21-40(5)8-2;1-7-8-19-30(36(45)38-31(24-28-17-13-10-14-18-28)34(43)32(41)22-26(2)3)37-35(44)29(23-27-15-11-9-12-16-27)25-33(42)40(6)21-20-39(4)5;1-6-16-29(35(44)37-30(33(42)31(40)7-2)24-27-19-14-11-15-20-27)36-34(43)28(23-26-17-12-10-13-18-26)25-32(41)38(5)21-22-39(8-3)9-4;1-6-15-28(34(43)36-29(32(41)30(39)7-2)23-26-18-13-10-14-19-26)35-33(42)27(22-25-16-11-9-12-17-25)24-31(40)38(5)21-20-37(4)8-3;1-5-13-26(32(41)35-27(30(39)28(37)6-2)21-24-16-11-8-12-17-24)34-31(40)25(20-23-14-9-7-10-15-23)22-29(38)36(4)19-18-33-3/h11,13-14,17-18,28,30-34,36,43,45H,8-9,12,15-16,19-27H2,1-6H3,(H,39,46)(H,40,47);10,12-13,16-17,27,29-33,35,42,44H,8,11,14-15,18-26H2,1-6H3,(H,38,45)(H,39,46);9,11-12,15-16,26,28-32,34,41,43H,10,13-14,17-25H2,1-6H3,(H,37,44)(H,38,45);1,7,10,12-13,17-18,27-31,33,40,42H,2,8-9,11,14-16,19-25H2,3-5H3,(H,36,43)(H,37,44);1,7,9,11-12,16-17,26-30,32,39,41H,2,8,10,13-15,18-24H2,3-5H3,(H,35,42)(H,36,43);1,6-7,9-10,14-15,24-28,30,33,37,39H,2,8,11-13,16-22H2,3-4H3,(H,34,40)(H,35,41)/t31?,32-,33?,34?,36+;30?,31-,32?,33?,35+;29?,30-,31?,32?,34+;28?,29-,30?,31?,33+;27?,28-,29?,30?,32+;25?,26-,27?,28?,30+/m000000/s1
InChIKeyYWIOHKNSVJQPJB-YGMZDXAVSA-N
XLogP18.51
TPSA742.05 Ų
H-Bond Donors25
H-Bond Acceptors36
Rotatable Bonds111
Heavy Atoms266
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003699.14
LogP ≤ 518.51
H-Bond Donors ≤ 525
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

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

Analyze 2-benzyl-N-[(2S)-1-[[(3R)-1-cyclohexyl-3,4-dihydroxyhex-5-en-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-[2-(diethylamino)ethyl]-N'-methylbutanediamide;2-benzyl-N-[(2S)-1-[[(3R)-1-cyclohexyl-3,4-dihydroxyhex-5-en-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-[2-[ethyl(methyl)amino]ethyl]-N'-methylbutanediamide;2-benzyl-N-[(2S)-1-[[(3R)-1-cyclohexyl-3,4-dihydroxyhex-5-en-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-methyl-N'-[2-(methylamino)ethyl]butanediamide;2-benzyl-N-[(2S)-1-[[(3R)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-1-oxohex-4-yn-2-yl]-N'-[2-(diethylamino)ethyl]-N'-methylbutanediamide;2-benzyl-N-[(2S)-1-[[(3R)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-1-oxohex-4-yn-2-yl]-N'-[2-(dimethylamino)ethyl]-N'-methylbutanediamide;2-benzyl-N-[(2S)-1-[[(3R)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-1-oxohex-4-yn-2-yl]-N'-[2-[ethyl(methyl)amino]ethyl]-N'-methylbutanediamide with MolForge

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Launch Full Analysis

Related Compounds

2-benzyl-N-[(2S)-1-[[(3R)-1-cyclohexyl-3,4-dihydroxyhex-5-en-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-[2-(diethylamino)ethyl]-N'-methylbutanediamide;2-benzyl-N-[(2S)-1-[[(3R)-1-cyclohexyl-3,4-dihydroxyhex-5-en-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-[2-[ethyl(methyl)amino]ethyl]-N'-methylbutanediamide;2-benzyl-N-[(2S)-1-[[(3R)-1-cyclohexyl-3,4-dihydroxyhex-5-en-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-methyl-N'-[2-(methylamino)ethyl]butanediamide;2-benzyl-N-[(2S)-1-[[(3R)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-1-oxohept-4-yn-2-yl]-N'-[2-(dimethylamino)ethyl]-N'-methylbutanediamide;2-benzyl-N-[(2S)-1-[[(3R)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-1-oxohex-4-yn-2-yl]-N'-[2-(diethylamino)ethyl]-N'-methylbutanediamide;2-benzyl-N-[(2S)-1-[[(3R)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-1-oxohex-4-yn-2-yl]-N'-[2-[ethyl(methyl)amino]ethyl]-N'-methylbutanediamide
CID 91454951
2-benzyl-N-[(2S)-1-[[(3R)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-[2-(diethylamino)ethyl]-N'-methylbutanediamide;2-benzyl-N-[(2S)-1-[[(3R)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-[2-(dimethylamino)ethyl]-N'-methylbutanediamide;2-benzyl-N-[(2S)-1-[[(3R)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-[2-[ethyl(methyl)amino]ethyl]-N'-methylbutanediamide;2-benzyl-N-[(2S)-1-[[(3R)-1-cyclohexyl-5-cyclopropyl-3,4-dihydroxypentan-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-[2-(diethylamino)ethyl]-N'-methylbutanediamide;2-benzyl-N-[(2S)-1-[[(3R)-1-cyclohexyl-3,4-dihydroxyhexan-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-[2-(dimethylamino)ethyl]-N'-methylbutanediamide;2-benzyl-N-[(2S)-1-[[(3R)-1-cyclohexyl-3,4-dihydroxyhex-5-en-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-[2-[ethyl(methyl)amino]ethyl]-N'-methylbutanediamide
CID 91339100
2-benzyl-N-[(2S)-1-[[(3R)-1-cyclohexyl-3,4-dihydroxyhex-5-en-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-[2-(dimethylamino)ethyl]-N'-methylbutanediamide
CID 59932802
(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyhept-6-yn-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-[2-(dimethylamino)ethyl]-N'-methylbutanediamide
CID 10153222
(2R)-2-benzyl-N'-[2-[benzyl(methyl)amino]ethyl]-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyoct-7-yn-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-methylbutanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyoct-7-yn-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-[2-[ethyl(methyl)amino]ethyl]-N'-methylbutanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyoct-7-yn-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-methyl-N'-[2-(methylamino)ethyl]butanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyoct-7-yn-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-methyl-N'-[2-(propan-2-ylamino)ethyl]butanediamide;(2S)-2-[[(2S)-2-benzyl-3-[2-(diethylamino)ethyl-methylsulfamoyl]propanoyl]amino]-N-[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyoct-7-yn-2-yl]pent-4-ynamide
CID 158163301
(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyhept-6-yn-2-yl]amino]-1-oxohex-4-yn-2-yl]-N'-[2-(dimethylamino)ethyl]-N'-methylbutanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyoct-7-yn-2-yl]amino]-3-ethyl-1-oxopent-4-yn-2-yl]-N'-[2-(dimethylamino)ethyl]-N'-methylbutanediamide;bis((2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyoct-7-yn-2-yl]amino]-3-ethyl-1-oxopent-4-yn-2-yl]-N'-[2-[ethyl(methyl)amino]ethyl]-N'-methylbutanediamide);(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyoct-7-yn-2-yl]amino]-1-oxohex-4-yn-2-yl]-N'-[2-[ethyl(methyl)amino]ethyl]-N'-methylbutanediamide
CID 160961097
2-benzyl-N-[(2S)-1-[[(3R)-1-cyclohexyl-3,4-dihydroxynon-8-yn-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-methyl-N'-[2-(methylamino)ethyl]butanediamide
CID 59871333
(2S)-2-[[2-benzyl-3-[methyl-[2-(methylamino)ethyl]sulfamoyl]propanoyl]amino]-N-[(3R)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]pent-4-ynamide
CID 59932784
2-benzyl-N-[1-[(1-cyclohexyl-3,4-dihydroxyhept-6-yn-2-yl)amino]-1-oxohex-5-yn-2-yl]-N'-methyl-N'-[2-(methylamino)ethyl]butanediamide
CID 22944254
2-benzyl-N-[(2S)-1-[[(3R)-1-cyclohexyl-3,4-dihydroxyhept-6-yn-2-yl]amino]-3-ethynyl-1-oxopent-4-yn-2-yl]-N'-[2-[ethyl(methyl)amino]ethyl]-N'-methylbutanediamide
CID 59871367
(2R)-2-benzyl-N-[(2S)-1-[[(2S,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-[2-(3,3-difluoropiperidin-1-yl)ethyl]-N'-methylbutanediamide
CID 146894779
2-benzyl-N'-[2-[benzyl(methyl)amino]ethyl]-N-[(2S)-1-[[(3R)-1-cyclohexyl-3,4-dihydroxynon-8-yn-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-methylbutanediamide
CID 59871342

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-[(2S)-1-[[(3R)-1-cyclohexyl-3,4-dihydroxyhex-5-en-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-[2-(diethylamino)ethyl]-N'-methylbutanediamide;2-benzyl-N-[(2S)-1-[[(3R)-1-cyclohexyl-3,4-dihydroxyhex-5-en-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-[2-[ethyl(methyl)amino]ethyl]-N'-methylbutanediamide;2-benzyl-N-[(2S)-1-[[(3R)-1-cyclohexyl-3,4-dihydroxyhex-5-en-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-methyl-N'-[2-(methylamino)ethyl]butanediamide;2-benzyl-N-[(2S)-1-[[(3R)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-1-oxohex-4-yn-2-yl]-N'-[2-(diethylamino)ethyl]-N'-methylbutanediamide;2-benzyl-N-[(2S)-1-[[(3R)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-1-oxohex-4-yn-2-yl]-N'-[2-(dimethylamino)ethyl]-N'-methylbutanediamide;2-benzyl-N-[(2S)-1-[[(3R)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-1-oxohex-4-yn-2-yl]-N'-[2-[ethyl(methyl)amino]ethyl]-N'-methylbutanediamide?
The IUPAC name of 2-benzyl-N-[(2S)-1-[[(3R)-1-cyclohexyl-3,4-dihydroxyhex-5-en-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-[2-(diethylamino)ethyl]-N'-methylbutanediamide;2-benzyl-N-[(2S)-1-[[(3R)-1-cyclohexyl-3,4-dihydroxyhex-5-en-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-[2-[ethyl(methyl)amino]ethyl]-N'-methylbutanediamide;2-benzyl-N-[(2S)-1-[[(3R)-1-cyclohexyl-3,4-dihydroxyhex-5-en-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-methyl-N'-[2-(methylamino)ethyl]butanediamide;2-benzyl-N-[(2S)-1-[[(3R)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-1-oxohex-4-yn-2-yl]-N'-[2-(diethylamino)ethyl]-N'-methylbutanediamide;2-benzyl-N-[(2S)-1-[[(3R)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-1-oxohex-4-yn-2-yl]-N'-[2-(dimethylamino)ethyl]-N'-methylbutanediamide;2-benzyl-N-[(2S)-1-[[(3R)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-1-oxohex-4-yn-2-yl]-N'-[2-[ethyl(methyl)amino]ethyl]-N'-methylbutanediamide (CID 162033495) is 2-benzyl-N-[(2S)-1-[[(3R)-1-cyclohexyl-3,4-dihydroxyhex-5-en-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-[2-(diethylamino)ethyl]-N'-methylbutanediamide;2-benzyl-N-[(2S)-1-[[(3R)-1-cyclohexyl-3,4-dihydroxyhex-5-en-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-[2-[ethyl(methyl)amino]ethyl]-N'-methylbutanediamide;2-benzyl-N-[(2S)-1-[[(3R)-1-cyclohexyl-3,4-dihydroxyhex-5-en-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-methyl-N'-[2-(methylamino)ethyl]butanediamide;2-benzyl-N-[(2S)-1-[[(3R)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-1-oxohex-4-yn-2-yl]-N'-[2-(diethylamino)ethyl]-N'-methylbutanediamide;2-benzyl-N-[(2S)-1-[[(3R)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-1-oxohex-4-yn-2-yl]-N'-[2-(dimethylamino)ethyl]-N'-methylbutanediamide;2-benzyl-N-[(2S)-1-[[(3R)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-1-oxohex-4-yn-2-yl]-N'-[2-[ethyl(methyl)amino]ethyl]-N'-methylbutanediamide.
What is the SMILES notation for 2-benzyl-N-[(2S)-1-[[(3R)-1-cyclohexyl-3,4-dihydroxyhex-5-en-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-[2-(diethylamino)ethyl]-N'-methylbutanediamide;2-benzyl-N-[(2S)-1-[[(3R)-1-cyclohexyl-3,4-dihydroxyhex-5-en-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-[2-[ethyl(methyl)amino]ethyl]-N'-methylbutanediamide;2-benzyl-N-[(2S)-1-[[(3R)-1-cyclohexyl-3,4-dihydroxyhex-5-en-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-methyl-N'-[2-(methylamino)ethyl]butanediamide;2-benzyl-N-[(2S)-1-[[(3R)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-1-oxohex-4-yn-2-yl]-N'-[2-(diethylamino)ethyl]-N'-methylbutanediamide;2-benzyl-N-[(2S)-1-[[(3R)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-1-oxohex-4-yn-2-yl]-N'-[2-(dimethylamino)ethyl]-N'-methylbutanediamide;2-benzyl-N-[(2S)-1-[[(3R)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-1-oxohex-4-yn-2-yl]-N'-[2-[ethyl(methyl)amino]ethyl]-N'-methylbutanediamide?
The canonical SMILES for 2-benzyl-N-[(2S)-1-[[(3R)-1-cyclohexyl-3,4-dihydroxyhex-5-en-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-[2-(diethylamino)ethyl]-N'-methylbutanediamide;2-benzyl-N-[(2S)-1-[[(3R)-1-cyclohexyl-3,4-dihydroxyhex-5-en-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-[2-[ethyl(methyl)amino]ethyl]-N'-methylbutanediamide;2-benzyl-N-[(2S)-1-[[(3R)-1-cyclohexyl-3,4-dihydroxyhex-5-en-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-methyl-N'-[2-(methylamino)ethyl]butanediamide;2-benzyl-N-[(2S)-1-[[(3R)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-1-oxohex-4-yn-2-yl]-N'-[2-(diethylamino)ethyl]-N'-methylbutanediamide;2-benzyl-N-[(2S)-1-[[(3R)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-1-oxohex-4-yn-2-yl]-N'-[2-(dimethylamino)ethyl]-N'-methylbutanediamide;2-benzyl-N-[(2S)-1-[[(3R)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-1-oxohex-4-yn-2-yl]-N'-[2-[ethyl(methyl)amino]ethyl]-N'-methylbutanediamide is C#CC[C@H](NC(=O)C(CC(=O)N(C)CCN(C)CC)Cc1ccccc1)C(=O)NC(CC1CCCCC1)[C@@H](O)C(O)C=C.C#CC[C@H](NC(=O)C(CC(=O)N(C)CCN(CC)CC)Cc1ccccc1)C(=O)NC(CC1CCCCC1)[C@@H](O)C(O)C=C.C#CC[C@H](NC(=O)C(CC(=O)N(C)CCNC)Cc1ccccc1)C(=O)NC(CC1CCCCC1)[C@@H](O)C(O)C=C.CC#CC[C@H](NC(=O)C(CC(=O)N(C)CCN(C)C)Cc1ccccc1)C(=O)NC(CC1CCCCC1)[C@@H](O)C(O)CC(C)C.CC#CC[C@H](NC(=O)C(CC(=O)N(C)CCN(C)CC)Cc1ccccc1)C(=O)NC(CC1CCCCC1)[C@@H](O)C(O)CC(C)C.CC#CC[C@H](NC(=O)C(CC(=O)N(C)CCN(CC)CC)Cc1ccccc1)C(=O)NC(CC1CCCCC1)[C@@H](O)C(O)CC(C)C.
What is the InChIKey of 2-benzyl-N-[(2S)-1-[[(3R)-1-cyclohexyl-3,4-dihydroxyhex-5-en-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-[2-(diethylamino)ethyl]-N'-methylbutanediamide;2-benzyl-N-[(2S)-1-[[(3R)-1-cyclohexyl-3,4-dihydroxyhex-5-en-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-[2-[ethyl(methyl)amino]ethyl]-N'-methylbutanediamide;2-benzyl-N-[(2S)-1-[[(3R)-1-cyclohexyl-3,4-dihydroxyhex-5-en-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-methyl-N'-[2-(methylamino)ethyl]butanediamide;2-benzyl-N-[(2S)-1-[[(3R)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-1-oxohex-4-yn-2-yl]-N'-[2-(diethylamino)ethyl]-N'-methylbutanediamide;2-benzyl-N-[(2S)-1-[[(3R)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-1-oxohex-4-yn-2-yl]-N'-[2-(dimethylamino)ethyl]-N'-methylbutanediamide;2-benzyl-N-[(2S)-1-[[(3R)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-1-oxohex-4-yn-2-yl]-N'-[2-[ethyl(methyl)amino]ethyl]-N'-methylbutanediamide?
The InChIKey is YWIOHKNSVJQPJB-YGMZDXAVSA-N. The full InChI is InChI=1S/C38H62N4O5.C37H60N4O5.C36H58N4O5.C35H54N4O5.C34H52N4O5.C32H48N4O5/c1-7-10-21-32(38(47)40-33(26-30-19-15-12-16-20-30)36(45)34(43)24-28(4)5)39-37(46)31(25-29-17-13-11-14-18-29)27-35(44)41(6)22-23-42(8-2)9-3;1-7-9-20-31(37(46)39-32(25-29-18-14-11-15-19-29)35(44)33(42)23-27(3)4)38-36(45)30(24-28-16-12-10-13-17-28)26-34(43)41(6)22-21-40(5)8-2;1-7-8-19-30(36(45)38-31(24-28-17-13-10-14-18-28)34(43)32(41)22-26(2)3)37-35(44)29(23-27-15-11-9-12-16-27)25-33(42)40(6)21-20-39(4)5;1-6-16-29(35(44)37-30(33(42)31(40)7-2)24-27-19-14-11-15-20-27)36-34(43)28(23-26-17-12-10-13-18-26)25-32(41)38(5)21-22-39(8-3)9-4;1-6-15-28(34(43)36-29(32(41)30(39)7-2)23-26-18-13-10-14-19-26)35-33(42)27(22-25-16-11-9-12-17-25)24-31(40)38(5)21-20-37(4)8-3;1-5-13-26(32(41)35-27(30(39)28(37)6-2)21-24-16-11-8-12-17-24)34-31(40)25(20-23-14-9-7-10-15-23)22-29(38)36(4)19-18-33-3/h11,13-14,17-18,28,30-34,36,43,45H,8-9,12,15-16,19-27H2,1-6H3,(H,39,46)(H,40,47);10,12-13,16-17,27,29-33,35,42,44H,8,11,14-15,18-26H2,1-6H3,(H,38,45)(H,39,46);9,11-12,15-16,26,28-32,34,41,43H,10,13-14,17-25H2,1-6H3,(H,37,44)(H,38,45);1,7,10,12-13,17-18,27-31,33,40,42H,2,8-9,11,14-16,19-25H2,3-5H3,(H,36,43)(H,37,44);1,7,9,11-12,16-17,26-30,32,39,41H,2,8,10,13-15,18-24H2,3-5H3,(H,35,42)(H,36,43);1,6-7,9-10,14-15,24-28,30,33,37,39H,2,8,11-13,16-22H2,3-4H3,(H,34,40)(H,35,41)/t31?,32-,33?,34?,36+;30?,31-,32?,33?,35+;29?,30-,31?,32?,34+;28?,29-,30?,31?,33+;27?,28-,29?,30?,32+;25?,26-,27?,28?,30+/m000000/s1.
What are the key properties of 2-benzyl-N-[(2S)-1-[[(3R)-1-cyclohexyl-3,4-dihydroxyhex-5-en-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-[2-(diethylamino)ethyl]-N'-methylbutanediamide;2-benzyl-N-[(2S)-1-[[(3R)-1-cyclohexyl-3,4-dihydroxyhex-5-en-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-[2-[ethyl(methyl)amino]ethyl]-N'-methylbutanediamide;2-benzyl-N-[(2S)-1-[[(3R)-1-cyclohexyl-3,4-dihydroxyhex-5-en-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-methyl-N'-[2-(methylamino)ethyl]butanediamide;2-benzyl-N-[(2S)-1-[[(3R)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-1-oxohex-4-yn-2-yl]-N'-[2-(diethylamino)ethyl]-N'-methylbutanediamide;2-benzyl-N-[(2S)-1-[[(3R)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-1-oxohex-4-yn-2-yl]-N'-[2-(dimethylamino)ethyl]-N'-methylbutanediamide;2-benzyl-N-[(2S)-1-[[(3R)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-1-oxohex-4-yn-2-yl]-N'-[2-[ethyl(methyl)amino]ethyl]-N'-methylbutanediamide?
2-benzyl-N-[(2S)-1-[[(3R)-1-cyclohexyl-3,4-dihydroxyhex-5-en-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-[2-(diethylamino)ethyl]-N'-methylbutanediamide;2-benzyl-N-[(2S)-1-[[(3R)-1-cyclohexyl-3,4-dihydroxyhex-5-en-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-[2-[ethyl(methyl)amino]ethyl]-N'-methylbutanediamide;2-benzyl-N-[(2S)-1-[[(3R)-1-cyclohexyl-3,4-dihydroxyhex-5-en-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-methyl-N'-[2-(methylamino)ethyl]butanediamide;2-benzyl-N-[(2S)-1-[[(3R)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-1-oxohex-4-yn-2-yl]-N'-[2-(diethylamino)ethyl]-N'-methylbutanediamide;2-benzyl-N-[(2S)-1-[[(3R)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-1-oxohex-4-yn-2-yl]-N'-[2-(dimethylamino)ethyl]-N'-methylbutanediamide;2-benzyl-N-[(2S)-1-[[(3R)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-1-oxohex-4-yn-2-yl]-N'-[2-[ethyl(methyl)amino]ethyl]-N'-methylbutanediamide has a molecular weight of 3699.14 g/mol, XLogP of 18.51, 111 rotatable bonds, 25 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-[(2S)-1-[[(3R)-1-cyclohexyl-3,4-dihydroxyhex-5-en-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-[2-(diethylamino)ethyl]-N'-methylbutanediamide;2-benzyl-N-[(2S)-1-[[(3R)-1-cyclohexyl-3,4-dihydroxyhex-5-en-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-[2-[ethyl(methyl)amino]ethyl]-N'-methylbutanediamide;2-benzyl-N-[(2S)-1-[[(3R)-1-cyclohexyl-3,4-dihydroxyhex-5-en-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-methyl-N'-[2-(methylamino)ethyl]butanediamide;2-benzyl-N-[(2S)-1-[[(3R)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-1-oxohex-4-yn-2-yl]-N'-[2-(diethylamino)ethyl]-N'-methylbutanediamide;2-benzyl-N-[(2S)-1-[[(3R)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-1-oxohex-4-yn-2-yl]-N'-[2-(dimethylamino)ethyl]-N'-methylbutanediamide;2-benzyl-N-[(2S)-1-[[(3R)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-1-oxohex-4-yn-2-yl]-N'-[2-[ethyl(methyl)amino]ethyl]-N'-methylbutanediamide is sourced from PubChem (CID 162033495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).