(7S,8R)-8-amino-7-hydroxy-2,9-dimethyldecan-5-one;[(2S)-1-[(2S)-2-[[(2S)-1-[(2R,3S)-3-amino-4-[[(3S,4R,5S)-5-hydroxy-3,10-dimethyl-7-oxoundecan-4-yl]amino]-4-oxobutan-2-yl]oxy-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-methylcarbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]azanide;[(2S)-1-[(2S)-2-carboxypyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]azanide;deuterium monohydride;(2S,3R)-3-[(2S)-2-(dimethylamino)-3-(4-methoxyphenyl)propanoyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid;[(2R,3S)-4-[[(3S,4R,5S)-5-hydroxy-3,10-dimethyl-7-oxoundecan-4-yl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutan-2-yl] (2S)-3-(4-methoxyphenyl)-2-(methylamino)propanoate;bis(4-methoxy-3-methylbutan-2-one);[(2S)-4-methyl-1-oxo-1-[(2S)-2-phenylmethoxycarbonylpyrrolidin-1-yl]pentan-2-yl]azanide;tris(propan-2-one);tris(yttrium)

C155H261N15O38Y3-6 — CID 157284141

IUPAC(7S,8R)-8-amino-7-hydroxy-2,9-dimethyldecan-5-one;[(2S)-1-[(2S)-2-[[(2S)-1-[(2R,3S)-3-amino-4-[[(3S,4R,5S)-5-hydroxy-3,10-dimethyl-7-oxoundecan-4-yl]amino]-4-oxobutan-2-yl]oxy-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-methylcarbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]azanide;[(2S)-1-[(2S)-2-carboxypyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]azanide;deuterium monohydride;(2S,3R)-3-[(2S)-2-(dimethylamino)-3-(4-methoxyphenyl)propanoyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid;[(2R,3S)-4-[[(3S,4R,5S)-5-hydroxy-3,10-dimethyl-7-oxoundecan-4-yl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutan-2-yl] (2S)-3-(4-methoxyphenyl)-2-(methylamino)propanoate;bis(4-methoxy-3-methylbutan-2-one);[(2S)-4-methyl-1-oxo-1-[(2S)-2-phenylmethoxycarbonylpyrrolidin-1-yl]pentan-2-yl]azanide;tris(propan-2-one);tris(yttrium)
SMILESCC(C)=O.CC(C)=O.CC(C)=O.CC(C)C[C@H]([NH-])C(=O)N1CCC[C@H]1C(=O)O.CC(C)C[C@H]([NH-])C(=O)N1CCC[C@H]1C(=O)OCc1ccccc1.CC(C)[CH-]CC(=O)C[C@H](O)[C@H](N)C(C)C.CC[C@H](C)[C@@H](NC(=O)[C@@H](N)[C@@H](C)OC(=O)[C@H](Cc1ccc(OC)cc1)N(C)C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH-])CC(C)C)[C@@H](O)CC(=O)C[CH-]C(C)C.CC[C@H](C)[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OC(=O)[C@H](Cc1ccc(OC)cc1)NC)[C@@H](O)CC(=O)C[CH-]C(C)C.COCC(C)C(C)=O.COCC(C)C(C)=O.COc1ccc(C[C@@H](C(=O)O[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)O)N(C)C)cc1.[H][2H].[Y].[Y].[Y]
InChIInChI=1S/C39H63N5O8.C33H54N3O8.C21H32N2O7.C18H25N2O3.C12H24NO2.C11H19N2O3.2C6H12O2.3C3H6O.3Y.H2/c1-10-25(6)35(33(46)22-28(45)16-13-23(2)3)42-36(47)34(41)26(7)52-39(50)32(21-27-14-17-29(51-9)18-15-27)43(8)38(49)31-12-11-19-44(31)37(48)30(40)20-24(4)5;1-11-21(4)28(27(38)19-24(37)15-12-20(2)3)35-30(39)29(36-32(41)44-33(6,7)8)22(5)43-31(40)26(34-9)18-23-13-16-25(42-10)17-14-23;1-13(17(18(24)25)22-20(27)30-21(2,3)4)29-19(26)16(23(5)6)12-14-8-10-15(28-7)11-9-14;1-13(2)11-15(19)17(21)20-10-6-9-16(20)18(22)23-12-14-7-4-3-5-8-14;1-8(2)5-6-10(14)7-11(15)12(13)9(3)4;1-7(2)6-8(12)10(14)13-5-3-4-9(13)11(15)16;2*1-5(4-8-3)6(2)7;3*1-3(2)4;;;;/h13-15,17-18,23-26,30-35,40,46H,10-12,16,19-22,41H2,1-9H3,(H,42,47);12-14,16-17,20-22,26-29,34,38H,11,15,18-19H2,1-10H3,(H,35,39)(H,36,41);8-11,13,16-17H,12H2,1-7H3,(H,22,27)(H,24,25);3-5,7-8,13,15-16,19H,6,9-12H2,1-2H3;5,8-9,11-12,15H,6-7,13H2,1-4H3;7-9,12H,3-6H2,1-2H3,(H,15,16);2*5H,4H2,1-3H3;3*1-2H3;;;;1H/q-2;-1;;3*-1;;;;;;;;;/t25-,26+,30-,31-,32-,33-,34-,35+;21-,22+,26-,27-,28+,29-;13-,16+,17+;15-,16-;11-,12+;8-,9-;;;;;;;;;/m001000........./s1/i;;;;;;;;;;;;;;1+1
InChIKeyFOIBGEPTYDZOQE-HXZDXSIRSA-N
MW3210.58 g/mol
LogP19.71
Rot. Bonds71

About (7S,8R)-8-amino-7-hydroxy-2,9-dimethyldecan-5-one;[(2S)-1-[(2S)-2-[[(2S)-1-[(2R,3S)-3-amino-4-[[(3S,4R,5S)-5-hydroxy-3,10-dimethyl-7-oxoundecan-4-yl]amino]-4-oxobutan-2-yl]oxy-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-methylcarbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]azanide;[(2S)-1-[(2S)-2-carboxypyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]azanide;deuterium monohydride;(2S,3R)-3-[(2S)-2-(dimethylamino)-3-(4-methoxyphenyl)propanoyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid;[(2R,3S)-4-[[(3S,4R,5S)-5-hydroxy-3,10-dimethyl-7-oxoundecan-4-yl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutan-2-yl] (2S)-3-(4-methoxyphenyl)-2-(methylamino)propanoate;bis(4-methoxy-3-methylbutan-2-one);[(2S)-4-methyl-1-oxo-1-[(2S)-2-phenylmethoxycarbonylpyrrolidin-1-yl]pentan-2-yl]azanide;tris(propan-2-one);tris(yttrium)

(7S,8R)-8-amino-7-hydroxy-2,9-dimethyldecan-5-one;[(2S)-1-[(2S)-2-[[(2S)-1-[(2R,3S)-3-amino-4-[[(3S,4R,5S)-5-hydroxy-3,10-dimethyl-7-oxoundecan-4-yl]amino]-4-oxobutan-2-yl]oxy-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-methylcarbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]azanide;[(2S)-1-[(2S)-2-carboxypyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]azanide;deuterium monohydride;(2S,3R)-3-[(2S)-2-(dimethylamino)-3-(4-methoxyphenyl)propanoyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid;[(2R,3S)-4-[[(3S,4R,5S)-5-hydroxy-3,10-dimethyl-7-oxoundecan-4-yl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutan-2-yl] (2S)-3-(4-methoxyphenyl)-2-(methylamino)propanoate;bis(4-methoxy-3-methylbutan-2-one);[(2S)-4-methyl-1-oxo-1-[(2S)-2-phenylmethoxycarbonylpyrrolidin-1-yl]pentan-2-yl]azanide;tris(propan-2-one);tris(yttrium) (PubChem CID 157284141) has the molecular formula C155H261N15O38Y3-6 and a molecular weight of 3210.58 g/mol. Its IUPAC name is (7S,8R)-8-amino-7-hydroxy-2,9-dimethyldecan-5-one;[(2S)-1-[(2S)-2-[[(2S)-1-[(2R,3S)-3-amino-4-[[(3S,4R,5S)-5-hydroxy-3,10-dimethyl-7-oxoundecan-4-yl]amino]-4-oxobutan-2-yl]oxy-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-methylcarbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]azanide;[(2S)-1-[(2S)-2-carboxypyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]azanide;deuterium monohydride;(2S,3R)-3-[(2S)-2-(dimethylamino)-3-(4-methoxyphenyl)propanoyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid;[(2R,3S)-4-[[(3S,4R,5S)-5-hydroxy-3,10-dimethyl-7-oxoundecan-4-yl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutan-2-yl] (2S)-3-(4-methoxyphenyl)-2-(methylamino)propanoate;bis(4-methoxy-3-methylbutan-2-one);[(2S)-4-methyl-1-oxo-1-[(2S)-2-phenylmethoxycarbonylpyrrolidin-1-yl]pentan-2-yl]azanide;tris(propan-2-one);tris(yttrium).

Molecular Properties

Compound Name(7S,8R)-8-amino-7-hydroxy-2,9-dimethyldecan-5-one;[(2S)-1-[(2S)-2-[[(2S)-1-[(2R,3S)-3-amino-4-[[(3S,4R,5S)-5-hydroxy-3,10-dimethyl-7-oxoundecan-4-yl]amino]-4-oxobutan-2-yl]oxy-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-methylcarbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]azanide;[(2S)-1-[(2S)-2-carboxypyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]azanide;deuterium monohydride;(2S,3R)-3-[(2S)-2-(dimethylamino)-3-(4-methoxyphenyl)propanoyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid;[(2R,3S)-4-[[(3S,4R,5S)-5-hydroxy-3,10-dimethyl-7-oxoundecan-4-yl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutan-2-yl] (2S)-3-(4-methoxyphenyl)-2-(methylamino)propanoate;bis(4-methoxy-3-methylbutan-2-one);[(2S)-4-methyl-1-oxo-1-[(2S)-2-phenylmethoxycarbonylpyrrolidin-1-yl]pentan-2-yl]azanide;tris(propan-2-one);tris(yttrium)
PubChem CID157284141
Molecular FormulaC155H261N15O38Y3-6
Molecular Weight3210.58 g/mol
Exact Mass3208.62
IUPAC Name(7S,8R)-8-amino-7-hydroxy-2,9-dimethyldecan-5-one;[(2S)-1-[(2S)-2-[[(2S)-1-[(2R,3S)-3-amino-4-[[(3S,4R,5S)-5-hydroxy-3,10-dimethyl-7-oxoundecan-4-yl]amino]-4-oxobutan-2-yl]oxy-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-methylcarbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]azanide;[(2S)-1-[(2S)-2-carboxypyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]azanide;deuterium monohydride;(2S,3R)-3-[(2S)-2-(dimethylamino)-3-(4-methoxyphenyl)propanoyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid;[(2R,3S)-4-[[(3S,4R,5S)-5-hydroxy-3,10-dimethyl-7-oxoundecan-4-yl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutan-2-yl] (2S)-3-(4-methoxyphenyl)-2-(methylamino)propanoate;bis(4-methoxy-3-methylbutan-2-one);[(2S)-4-methyl-1-oxo-1-[(2S)-2-phenylmethoxycarbonylpyrrolidin-1-yl]pentan-2-yl]azanide;tris(propan-2-one);tris(yttrium)
SMILESCC(C)=O.CC(C)=O.CC(C)=O.CC(C)C[C@H]([NH-])C(=O)N1CCC[C@H]1C(=O)O.CC(C)C[C@H]([NH-])C(=O)N1CCC[C@H]1C(=O)OCc1ccccc1.CC(C)[CH-]CC(=O)C[C@H](O)[C@H](N)C(C)C.CC[C@H](C)[C@@H](NC(=O)[C@@H](N)[C@@H](C)OC(=O)[C@H](Cc1ccc(OC)cc1)N(C)C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH-])CC(C)C)[C@@H](O)CC(=O)C[CH-]C(C)C.CC[C@H](C)[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OC(=O)[C@H](Cc1ccc(OC)cc1)NC)[C@@H](O)CC(=O)C[CH-]C(C)C.COCC(C)C(C)=O.COCC(C)C(C)=O.COc1ccc(C[C@@H](C(=O)O[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)O)N(C)C)cc1.[H][2H].[Y].[Y].[Y]
InChIInChI=1S/C39H63N5O8.C33H54N3O8.C21H32N2O7.C18H25N2O3.C12H24NO2.C11H19N2O3.2C6H12O2.3C3H6O.3Y.H2/c1-10-25(6)35(33(46)22-28(45)16-13-23(2)3)42-36(47)34(41)26(7)52-39(50)32(21-27-14-17-29(51-9)18-15-27)43(8)38(49)31-12-11-19-44(31)37(48)30(40)20-24(4)5;1-11-21(4)28(27(38)19-24(37)15-12-20(2)3)35-30(39)29(36-32(41)44-33(6,7)8)22(5)43-31(40)26(34-9)18-23-13-16-25(42-10)17-14-23;1-13(17(18(24)25)22-20(27)30-21(2,3)4)29-19(26)16(23(5)6)12-14-8-10-15(28-7)11-9-14;1-13(2)11-15(19)17(21)20-10-6-9-16(20)18(22)23-12-14-7-4-3-5-8-14;1-8(2)5-6-10(14)7-11(15)12(13)9(3)4;1-7(2)6-8(12)10(14)13-5-3-4-9(13)11(15)16;2*1-5(4-8-3)6(2)7;3*1-3(2)4;;;;/h13-15,17-18,23-26,30-35,40,46H,10-12,16,19-22,41H2,1-9H3,(H,42,47);12-14,16-17,20-22,26-29,34,38H,11,15,18-19H2,1-10H3,(H,35,39)(H,36,41);8-11,13,16-17H,12H2,1-7H3,(H,22,27)(H,24,25);3-5,7-8,13,15-16,19H,6,9-12H2,1-2H3;5,8-9,11-12,15H,6-7,13H2,1-4H3;7-9,12H,3-6H2,1-2H3,(H,15,16);2*5H,4H2,1-3H3;3*1-2H3;;;;1H/q-2;-1;;3*-1;;;;;;;;;/t25-,26+,30-,31-,32-,33-,34-,35+;21-,22+,26-,27-,28+,29-;13-,16+,17+;15-,16-;11-,12+;8-,9-;;;;;;;;;/m001000........./s1/i;;;;;;;;;;;;;;1+1
InChIKeyFOIBGEPTYDZOQE-HXZDXSIRSA-N
XLogP19.71
TPSA778.01 Ų
H-Bond Donors12
H-Bond Acceptors40
Rotatable Bonds71
Heavy Atoms211
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003210.58
LogP ≤ 519.71
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1040

Analyze (7S,8R)-8-amino-7-hydroxy-2,9-dimethyldecan-5-one;[(2S)-1-[(2S)-2-[[(2S)-1-[(2R,3S)-3-amino-4-[[(3S,4R,5S)-5-hydroxy-3,10-dimethyl-7-oxoundecan-4-yl]amino]-4-oxobutan-2-yl]oxy-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-methylcarbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]azanide;[(2S)-1-[(2S)-2-carboxypyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]azanide;deuterium monohydride;(2S,3R)-3-[(2S)-2-(dimethylamino)-3-(4-methoxyphenyl)propanoyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid;[(2R,3S)-4-[[(3S,4R,5S)-5-hydroxy-3,10-dimethyl-7-oxoundecan-4-yl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutan-2-yl] (2S)-3-(4-methoxyphenyl)-2-(methylamino)propanoate;bis(4-methoxy-3-methylbutan-2-one);[(2S)-4-methyl-1-oxo-1-[(2S)-2-phenylmethoxycarbonylpyrrolidin-1-yl]pentan-2-yl]azanide;tris(propan-2-one);tris(yttrium) with MolForge

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Related Compounds

[(2R,3S)-4-[[(3S,4R,5S)-5-hydroxy-3,10-dimethyl-7-oxoundecan-4-yl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutan-2-yl] (2S)-2-(dimethylamino)-3-(4-methoxyphenyl)propanoate;[(2S)-4-methyl-1-oxo-1-[(2S)-2-phenylmethoxycarbonylpyrrolidin-1-yl]pentan-2-yl]azanide;yttrium
CID 59680839
[(2S)-1-[(2S)-2-[[(2S)-1-[(2R,3S)-4-[[(3S,4R,5S)-5-hydroxy-3,10-dimethyl-7-oxoundecan-4-yl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutan-2-yl]oxy-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-methylcarbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]azanide;yttrium
CID 59680904
benzyl (2S)-1-[(2S)-2-[[(4S)-4-[[(3S,4R,5S)-3-hydroxy-4-[[(2S,3R)-3-[(2S)-3-(4-methoxyphenyl)-2-[methyl(phenylmethoxycarbonyl)amino]propanoyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]-5-methylheptanoyl]amino]-2,5-dimethyl-3-oxohexanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carboxylate
CID 59680874
[(2S)-1-[(2S)-2-[[(2S)-1-[(2R,3S)-4-[[(3S,4R,5S)-5-hydroxy-3-methyl-7-oxoundecan-4-yl]amino]-3-[[4-methyl-2-[methyl-[1-(2-oxopropanoyl)pyrrolidine-2-carbonyl]amino]pentanoyl]amino]-4-oxobutan-2-yl]oxy-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-methylcarbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]azanide;yttrium
CID 59211776
benzyl (2S)-1-[(2S)-2-[[(2S)-2-[(3S,5S)-4-[[(2S,3R)-3-[(2S)-3-(4-chlorophenyl)-2-(dimethylamino)propanoyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]-3-hydroxy-5-methylheptanoyl]oxy-3-methylbutanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carboxylate
CID 90708826
[(2S)-1-[(2S)-2-[[(2S)-3-(4-methoxyphenyl)-1-[(2R,3S)-4-[[(1S,2S)-2-methyl-1-(5-methyl-2-oxohexoxy)butyl]amino]-3-[[(2R)-4-methyl-2-[methyl-[(2S)-1-(2-oxopropanoyl)pyrrolidine-2-carbonyl]amino]pentanoyl]amino]-4-oxobutan-2-yl]oxy-1-oxopropan-2-yl]-methylcarbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]azanide;yttrium
CID 59649263
(2R)-1-[(2S)-2-[[(2S,4S)-4-[[(4R,5S)-4-[[(3R)-2-[[(2R)-2-(dimethylamino)-4-methylpentanoyl]amino]-3-[(2S)-3-(4-methoxyphenyl)-2-(methylamino)propanoyl]oxybutanoyl]amino]-3-hydroxy-5-methylheptanoyl]amino]-2,5-dimethyl-3-oxohexanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carboxylic acid
CID 59886254
[(3S,4S,5R)-6-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)-2,5-dimethylhexan-3-yl] (3S,4R,5S)-4-[[(2S,3R)-3-[(2S)-3-(4-methoxyphenyl)-2-[methyl-[(2S)-1-[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]-5-methyl-3-tri(propan-2-yl)silyloxyheptanoate
CID 10396675
benzyl (2R)-1-[(2S,3S)-2-[[(2R)-3-(4-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-methylpentanoyl]pyrrolidine-2-carboxylate
CID 58726683
[(2S)-1-[[(2S)-1-[(2S)-2-[[(2S)-3-(4-methoxyphenyl)-1-[(2R,3S)-4-(methylamino)-3-[[4-methyl-2-[methyl-[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]pentanoyl]amino]-4-oxobutan-2-yl]oxy-1-oxopropan-2-yl]-methylcarbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl] (5S)-5-methylheptanoate
CID 147848620
2-trimethylsilylethoxymethyl (2S,3R)-2-amino-3-[(2S)-3-(4-methoxyphenyl)-2-[methyl-[(2S)-1-[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]oxybutanoate
CID 101049689
(2S)-2-[[(2R)-1-[(2S)-2-[[(2R,4S)-4-[(3R,4S,5S)-3-hydroxy-4-[[(2R,3S)-3-hydroxy-2-[[(2S)-4-methyl-2-(methylamino)pentanoyl]amino]butanoyl]amino]-5-methylheptanoyl]oxy-2,5-dimethyl-3-oxohexanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]-methylamino]-3-(4-methoxyphenyl)propanoic acid
CID 162961246

Frequently Asked Questions

What is the IUPAC name of (7S,8R)-8-amino-7-hydroxy-2,9-dimethyldecan-5-one;[(2S)-1-[(2S)-2-[[(2S)-1-[(2R,3S)-3-amino-4-[[(3S,4R,5S)-5-hydroxy-3,10-dimethyl-7-oxoundecan-4-yl]amino]-4-oxobutan-2-yl]oxy-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-methylcarbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]azanide;[(2S)-1-[(2S)-2-carboxypyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]azanide;deuterium monohydride;(2S,3R)-3-[(2S)-2-(dimethylamino)-3-(4-methoxyphenyl)propanoyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid;[(2R,3S)-4-[[(3S,4R,5S)-5-hydroxy-3,10-dimethyl-7-oxoundecan-4-yl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutan-2-yl] (2S)-3-(4-methoxyphenyl)-2-(methylamino)propanoate;bis(4-methoxy-3-methylbutan-2-one);[(2S)-4-methyl-1-oxo-1-[(2S)-2-phenylmethoxycarbonylpyrrolidin-1-yl]pentan-2-yl]azanide;tris(propan-2-one);tris(yttrium)?
The IUPAC name of (7S,8R)-8-amino-7-hydroxy-2,9-dimethyldecan-5-one;[(2S)-1-[(2S)-2-[[(2S)-1-[(2R,3S)-3-amino-4-[[(3S,4R,5S)-5-hydroxy-3,10-dimethyl-7-oxoundecan-4-yl]amino]-4-oxobutan-2-yl]oxy-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-methylcarbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]azanide;[(2S)-1-[(2S)-2-carboxypyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]azanide;deuterium monohydride;(2S,3R)-3-[(2S)-2-(dimethylamino)-3-(4-methoxyphenyl)propanoyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid;[(2R,3S)-4-[[(3S,4R,5S)-5-hydroxy-3,10-dimethyl-7-oxoundecan-4-yl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutan-2-yl] (2S)-3-(4-methoxyphenyl)-2-(methylamino)propanoate;bis(4-methoxy-3-methylbutan-2-one);[(2S)-4-methyl-1-oxo-1-[(2S)-2-phenylmethoxycarbonylpyrrolidin-1-yl]pentan-2-yl]azanide;tris(propan-2-one);tris(yttrium) (CID 157284141) is (7S,8R)-8-amino-7-hydroxy-2,9-dimethyldecan-5-one;[(2S)-1-[(2S)-2-[[(2S)-1-[(2R,3S)-3-amino-4-[[(3S,4R,5S)-5-hydroxy-3,10-dimethyl-7-oxoundecan-4-yl]amino]-4-oxobutan-2-yl]oxy-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-methylcarbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]azanide;[(2S)-1-[(2S)-2-carboxypyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]azanide;deuterium monohydride;(2S,3R)-3-[(2S)-2-(dimethylamino)-3-(4-methoxyphenyl)propanoyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid;[(2R,3S)-4-[[(3S,4R,5S)-5-hydroxy-3,10-dimethyl-7-oxoundecan-4-yl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutan-2-yl] (2S)-3-(4-methoxyphenyl)-2-(methylamino)propanoate;bis(4-methoxy-3-methylbutan-2-one);[(2S)-4-methyl-1-oxo-1-[(2S)-2-phenylmethoxycarbonylpyrrolidin-1-yl]pentan-2-yl]azanide;tris(propan-2-one);tris(yttrium).
What is the SMILES notation for (7S,8R)-8-amino-7-hydroxy-2,9-dimethyldecan-5-one;[(2S)-1-[(2S)-2-[[(2S)-1-[(2R,3S)-3-amino-4-[[(3S,4R,5S)-5-hydroxy-3,10-dimethyl-7-oxoundecan-4-yl]amino]-4-oxobutan-2-yl]oxy-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-methylcarbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]azanide;[(2S)-1-[(2S)-2-carboxypyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]azanide;deuterium monohydride;(2S,3R)-3-[(2S)-2-(dimethylamino)-3-(4-methoxyphenyl)propanoyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid;[(2R,3S)-4-[[(3S,4R,5S)-5-hydroxy-3,10-dimethyl-7-oxoundecan-4-yl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutan-2-yl] (2S)-3-(4-methoxyphenyl)-2-(methylamino)propanoate;bis(4-methoxy-3-methylbutan-2-one);[(2S)-4-methyl-1-oxo-1-[(2S)-2-phenylmethoxycarbonylpyrrolidin-1-yl]pentan-2-yl]azanide;tris(propan-2-one);tris(yttrium)?
The canonical SMILES for (7S,8R)-8-amino-7-hydroxy-2,9-dimethyldecan-5-one;[(2S)-1-[(2S)-2-[[(2S)-1-[(2R,3S)-3-amino-4-[[(3S,4R,5S)-5-hydroxy-3,10-dimethyl-7-oxoundecan-4-yl]amino]-4-oxobutan-2-yl]oxy-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-methylcarbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]azanide;[(2S)-1-[(2S)-2-carboxypyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]azanide;deuterium monohydride;(2S,3R)-3-[(2S)-2-(dimethylamino)-3-(4-methoxyphenyl)propanoyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid;[(2R,3S)-4-[[(3S,4R,5S)-5-hydroxy-3,10-dimethyl-7-oxoundecan-4-yl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutan-2-yl] (2S)-3-(4-methoxyphenyl)-2-(methylamino)propanoate;bis(4-methoxy-3-methylbutan-2-one);[(2S)-4-methyl-1-oxo-1-[(2S)-2-phenylmethoxycarbonylpyrrolidin-1-yl]pentan-2-yl]azanide;tris(propan-2-one);tris(yttrium) is CC(C)=O.CC(C)=O.CC(C)=O.CC(C)C[C@H]([NH-])C(=O)N1CCC[C@H]1C(=O)O.CC(C)C[C@H]([NH-])C(=O)N1CCC[C@H]1C(=O)OCc1ccccc1.CC(C)[CH-]CC(=O)C[C@H](O)[C@H](N)C(C)C.CC[C@H](C)[C@@H](NC(=O)[C@@H](N)[C@@H](C)OC(=O)[C@H](Cc1ccc(OC)cc1)N(C)C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH-])CC(C)C)[C@@H](O)CC(=O)C[CH-]C(C)C.CC[C@H](C)[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OC(=O)[C@H](Cc1ccc(OC)cc1)NC)[C@@H](O)CC(=O)C[CH-]C(C)C.COCC(C)C(C)=O.COCC(C)C(C)=O.COc1ccc(C[C@@H](C(=O)O[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)O)N(C)C)cc1.[H][2H].[Y].[Y].[Y].
What is the InChIKey of (7S,8R)-8-amino-7-hydroxy-2,9-dimethyldecan-5-one;[(2S)-1-[(2S)-2-[[(2S)-1-[(2R,3S)-3-amino-4-[[(3S,4R,5S)-5-hydroxy-3,10-dimethyl-7-oxoundecan-4-yl]amino]-4-oxobutan-2-yl]oxy-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-methylcarbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]azanide;[(2S)-1-[(2S)-2-carboxypyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]azanide;deuterium monohydride;(2S,3R)-3-[(2S)-2-(dimethylamino)-3-(4-methoxyphenyl)propanoyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid;[(2R,3S)-4-[[(3S,4R,5S)-5-hydroxy-3,10-dimethyl-7-oxoundecan-4-yl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutan-2-yl] (2S)-3-(4-methoxyphenyl)-2-(methylamino)propanoate;bis(4-methoxy-3-methylbutan-2-one);[(2S)-4-methyl-1-oxo-1-[(2S)-2-phenylmethoxycarbonylpyrrolidin-1-yl]pentan-2-yl]azanide;tris(propan-2-one);tris(yttrium)?
The InChIKey is FOIBGEPTYDZOQE-HXZDXSIRSA-N. The full InChI is InChI=1S/C39H63N5O8.C33H54N3O8.C21H32N2O7.C18H25N2O3.C12H24NO2.C11H19N2O3.2C6H12O2.3C3H6O.3Y.H2/c1-10-25(6)35(33(46)22-28(45)16-13-23(2)3)42-36(47)34(41)26(7)52-39(50)32(21-27-14-17-29(51-9)18-15-27)43(8)38(49)31-12-11-19-44(31)37(48)30(40)20-24(4)5;1-11-21(4)28(27(38)19-24(37)15-12-20(2)3)35-30(39)29(36-32(41)44-33(6,7)8)22(5)43-31(40)26(34-9)18-23-13-16-25(42-10)17-14-23;1-13(17(18(24)25)22-20(27)30-21(2,3)4)29-19(26)16(23(5)6)12-14-8-10-15(28-7)11-9-14;1-13(2)11-15(19)17(21)20-10-6-9-16(20)18(22)23-12-14-7-4-3-5-8-14;1-8(2)5-6-10(14)7-11(15)12(13)9(3)4;1-7(2)6-8(12)10(14)13-5-3-4-9(13)11(15)16;2*1-5(4-8-3)6(2)7;3*1-3(2)4;;;;/h13-15,17-18,23-26,30-35,40,46H,10-12,16,19-22,41H2,1-9H3,(H,42,47);12-14,16-17,20-22,26-29,34,38H,11,15,18-19H2,1-10H3,(H,35,39)(H,36,41);8-11,13,16-17H,12H2,1-7H3,(H,22,27)(H,24,25);3-5,7-8,13,15-16,19H,6,9-12H2,1-2H3;5,8-9,11-12,15H,6-7,13H2,1-4H3;7-9,12H,3-6H2,1-2H3,(H,15,16);2*5H,4H2,1-3H3;3*1-2H3;;;;1H/q-2;-1;;3*-1;;;;;;;;;/t25-,26+,30-,31-,32-,33-,34-,35+;21-,22+,26-,27-,28+,29-;13-,16+,17+;15-,16-;11-,12+;8-,9-;;;;;;;;;/m001000........./s1/i;;;;;;;;;;;;;;1+1.
What are the key properties of (7S,8R)-8-amino-7-hydroxy-2,9-dimethyldecan-5-one;[(2S)-1-[(2S)-2-[[(2S)-1-[(2R,3S)-3-amino-4-[[(3S,4R,5S)-5-hydroxy-3,10-dimethyl-7-oxoundecan-4-yl]amino]-4-oxobutan-2-yl]oxy-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-methylcarbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]azanide;[(2S)-1-[(2S)-2-carboxypyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]azanide;deuterium monohydride;(2S,3R)-3-[(2S)-2-(dimethylamino)-3-(4-methoxyphenyl)propanoyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid;[(2R,3S)-4-[[(3S,4R,5S)-5-hydroxy-3,10-dimethyl-7-oxoundecan-4-yl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutan-2-yl] (2S)-3-(4-methoxyphenyl)-2-(methylamino)propanoate;bis(4-methoxy-3-methylbutan-2-one);[(2S)-4-methyl-1-oxo-1-[(2S)-2-phenylmethoxycarbonylpyrrolidin-1-yl]pentan-2-yl]azanide;tris(propan-2-one);tris(yttrium)?
(7S,8R)-8-amino-7-hydroxy-2,9-dimethyldecan-5-one;[(2S)-1-[(2S)-2-[[(2S)-1-[(2R,3S)-3-amino-4-[[(3S,4R,5S)-5-hydroxy-3,10-dimethyl-7-oxoundecan-4-yl]amino]-4-oxobutan-2-yl]oxy-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-methylcarbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]azanide;[(2S)-1-[(2S)-2-carboxypyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]azanide;deuterium monohydride;(2S,3R)-3-[(2S)-2-(dimethylamino)-3-(4-methoxyphenyl)propanoyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid;[(2R,3S)-4-[[(3S,4R,5S)-5-hydroxy-3,10-dimethyl-7-oxoundecan-4-yl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutan-2-yl] (2S)-3-(4-methoxyphenyl)-2-(methylamino)propanoate;bis(4-methoxy-3-methylbutan-2-one);[(2S)-4-methyl-1-oxo-1-[(2S)-2-phenylmethoxycarbonylpyrrolidin-1-yl]pentan-2-yl]azanide;tris(propan-2-one);tris(yttrium) has a molecular weight of 3210.58 g/mol, XLogP of 19.71, 71 rotatable bonds, 12 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for (7S,8R)-8-amino-7-hydroxy-2,9-dimethyldecan-5-one;[(2S)-1-[(2S)-2-[[(2S)-1-[(2R,3S)-3-amino-4-[[(3S,4R,5S)-5-hydroxy-3,10-dimethyl-7-oxoundecan-4-yl]amino]-4-oxobutan-2-yl]oxy-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-methylcarbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]azanide;[(2S)-1-[(2S)-2-carboxypyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]azanide;deuterium monohydride;(2S,3R)-3-[(2S)-2-(dimethylamino)-3-(4-methoxyphenyl)propanoyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid;[(2R,3S)-4-[[(3S,4R,5S)-5-hydroxy-3,10-dimethyl-7-oxoundecan-4-yl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutan-2-yl] (2S)-3-(4-methoxyphenyl)-2-(methylamino)propanoate;bis(4-methoxy-3-methylbutan-2-one);[(2S)-4-methyl-1-oxo-1-[(2S)-2-phenylmethoxycarbonylpyrrolidin-1-yl]pentan-2-yl]azanide;tris(propan-2-one);tris(yttrium) is sourced from PubChem (CID 157284141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).