[(2R,3S)-3-amino-1-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]-4-phenylbutan-2-yl] dihydrogen phosphate;tert-butyl N-[(2S,3R)-3-hydroxy-4-(2-methylpropylamino)-1-phenylbutan-2-yl]carbamate;tert-butyl N-[(2S,3R)-3-hydroxy-4-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]-1-phenylbutan-2-yl]carbamate;tert-butyl N-[(2S,3R)-4-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]-1-phenyl-3-phosphonooxybutan-2-yl]carbamate;tert-butyl N-[(1S)-1-[(2R)-oxiran-2-yl]-2-phenylethyl]carbamate;(4-nitrophenyl) oxolan-3-yl carbonate;[(3R)-oxolan-3-yl] N-[(2S,3R)-4-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-1-phenyl-3-phosphonooxybutan-2-yl]carbamate;[(3R)-oxolan-3-yl] N-[(2S,3R)-4-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]-1-phenyl-3-phosphonooxybutan-2-yl]carbamate;hydrochloride

C165H234ClN19O57P4S5 — CID 158199626

IUPAC[(2R,3S)-3-amino-1-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]-4-phenylbutan-2-yl] dihydrogen phosphate;tert-butyl N-[(2S,3R)-3-hydroxy-4-(2-methylpropylamino)-1-phenylbutan-2-yl]carbamate;tert-butyl N-[(2S,3R)-3-hydroxy-4-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]-1-phenylbutan-2-yl]carbamate;tert-butyl N-[(2S,3R)-4-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]-1-phenyl-3-phosphonooxybutan-2-yl]carbamate;tert-butyl N-[(1S)-1-[(2R)-oxiran-2-yl]-2-phenylethyl]carbamate;(4-nitrophenyl) oxolan-3-yl carbonate;[(3R)-oxolan-3-yl] N-[(2S,3R)-4-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-1-phenyl-3-phosphonooxybutan-2-yl]carbamate;[(3R)-oxolan-3-yl] N-[(2S,3R)-4-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]-1-phenyl-3-phosphonooxybutan-2-yl]carbamate;hydrochloride
SMILESCC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H]1CO1.CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1.CC(C)CN(C[C@@H](OP(=O)(O)O)[C@@H](N)Cc1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1.CC(C)CN(C[C@@H](OP(=O)(O)O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1.CC(C)CN(C[C@@H](OP(=O)(O)O)[C@H](Cc1ccccc1)NC(=O)O[C@@H]1CCOC1)S(=O)(=O)c1ccc(N)cc1.CC(C)CN(C[C@@H](OP(=O)(O)O)[C@H](Cc1ccccc1)NC(=O)O[C@@H]1CCOC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1.CC(C)CNC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C.Cl.O=C(Oc1ccc([N+](=O)[O-])cc1)OC1CCOC1
InChIInChI=1S/C25H34N3O11PS.C25H36N3O10PS.C25H36N3O9PS.C25H35N3O7S.C20H28N3O8PS.C19H32N2O3.C15H21NO3.C11H11NO6.ClH/c1-18(2)15-27(41(35,36)22-10-8-20(9-11-22)28(30)31)16-24(39-40(32,33)34)23(14-19-6-4-3-5-7-19)26-25(29)38-21-12-13-37-17-21;1-18(2)16-27(40(35,36)21-13-11-20(12-14-21)28(30)31)17-23(38-39(32,33)34)22(15-19-9-7-6-8-10-19)26-24(29)37-25(3,4)5;1-18(2)15-28(39(33,34)22-10-8-20(26)9-11-22)16-24(37-38(30,31)32)23(14-19-6-4-3-5-7-19)27-25(29)36-21-12-13-35-17-21;1-18(2)16-27(36(33,34)21-13-11-20(12-14-21)28(31)32)17-23(29)22(15-19-9-7-6-8-10-19)26-24(30)35-25(3,4)5;1-15(2)13-22(33(29,30)18-10-8-17(9-11-18)23(24)25)14-20(31-32(26,27)28)19(21)12-16-6-4-3-5-7-16;1-14(2)12-20-13-17(22)16(11-15-9-7-6-8-10-15)21-18(23)24-19(3,4)5;1-15(2,3)19-14(17)16-12(13-10-18-13)9-11-7-5-4-6-8-11;13-11(18-10-5-6-16-7-10)17-9-3-1-8(2-4-9)12(14)15;/h3-11,18,21,23-24H,12-17H2,1-2H3,(H,26,29)(H2,32,33,34);6-14,18,22-23H,15-17H2,1-5H3,(H,26,29)(H2,32,33,34);3-11,18,21,23-24H,12-17,26H2,1-2H3,(H,27,29)(H2,30,31,32);6-14,18,22-23,29H,15-17H2,1-5H3,(H,26,30);3-11,15,19-20H,12-14,21H2,1-2H3,(H2,26,27,28);6-10,14,16-17,20,22H,11-13H2,1-5H3,(H,21,23);4-8,12-13H,9-10H2,1-3H3,(H,16,17);1-4,10H,5-7H2;1H/t21-,23+,24-;22-,23+;21-,23+,24-;22-,23+;19-,20+;16-,17+;12-,13-;;/m1010000../s1
InChIKeyHOAKDRBMHDAVMX-CSLVLBRFSA-N
MW3715.45 g/mol
LogP22.82
Rot. Bonds78

About [(2R,3S)-3-amino-1-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]-4-phenylbutan-2-yl] dihydrogen phosphate;tert-butyl N-[(2S,3R)-3-hydroxy-4-(2-methylpropylamino)-1-phenylbutan-2-yl]carbamate;tert-butyl N-[(2S,3R)-3-hydroxy-4-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]-1-phenylbutan-2-yl]carbamate;tert-butyl N-[(2S,3R)-4-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]-1-phenyl-3-phosphonooxybutan-2-yl]carbamate;tert-butyl N-[(1S)-1-[(2R)-oxiran-2-yl]-2-phenylethyl]carbamate;(4-nitrophenyl) oxolan-3-yl carbonate;[(3R)-oxolan-3-yl] N-[(2S,3R)-4-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-1-phenyl-3-phosphonooxybutan-2-yl]carbamate;[(3R)-oxolan-3-yl] N-[(2S,3R)-4-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]-1-phenyl-3-phosphonooxybutan-2-yl]carbamate;hydrochloride

[(2R,3S)-3-amino-1-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]-4-phenylbutan-2-yl] dihydrogen phosphate;tert-butyl N-[(2S,3R)-3-hydroxy-4-(2-methylpropylamino)-1-phenylbutan-2-yl]carbamate;tert-butyl N-[(2S,3R)-3-hydroxy-4-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]-1-phenylbutan-2-yl]carbamate;tert-butyl N-[(2S,3R)-4-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]-1-phenyl-3-phosphonooxybutan-2-yl]carbamate;tert-butyl N-[(1S)-1-[(2R)-oxiran-2-yl]-2-phenylethyl]carbamate;(4-nitrophenyl) oxolan-3-yl carbonate;[(3R)-oxolan-3-yl] N-[(2S,3R)-4-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-1-phenyl-3-phosphonooxybutan-2-yl]carbamate;[(3R)-oxolan-3-yl] N-[(2S,3R)-4-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]-1-phenyl-3-phosphonooxybutan-2-yl]carbamate;hydrochloride (PubChem CID 158199626) has the molecular formula C165H234ClN19O57P4S5 and a molecular weight of 3715.45 g/mol. Its IUPAC name is [(2R,3S)-3-amino-1-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]-4-phenylbutan-2-yl] dihydrogen phosphate;tert-butyl N-[(2S,3R)-3-hydroxy-4-(2-methylpropylamino)-1-phenylbutan-2-yl]carbamate;tert-butyl N-[(2S,3R)-3-hydroxy-4-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]-1-phenylbutan-2-yl]carbamate;tert-butyl N-[(2S,3R)-4-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]-1-phenyl-3-phosphonooxybutan-2-yl]carbamate;tert-butyl N-[(1S)-1-[(2R)-oxiran-2-yl]-2-phenylethyl]carbamate;(4-nitrophenyl) oxolan-3-yl carbonate;[(3R)-oxolan-3-yl] N-[(2S,3R)-4-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-1-phenyl-3-phosphonooxybutan-2-yl]carbamate;[(3R)-oxolan-3-yl] N-[(2S,3R)-4-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]-1-phenyl-3-phosphonooxybutan-2-yl]carbamate;hydrochloride.

Molecular Properties

Compound Name[(2R,3S)-3-amino-1-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]-4-phenylbutan-2-yl] dihydrogen phosphate;tert-butyl N-[(2S,3R)-3-hydroxy-4-(2-methylpropylamino)-1-phenylbutan-2-yl]carbamate;tert-butyl N-[(2S,3R)-3-hydroxy-4-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]-1-phenylbutan-2-yl]carbamate;tert-butyl N-[(2S,3R)-4-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]-1-phenyl-3-phosphonooxybutan-2-yl]carbamate;tert-butyl N-[(1S)-1-[(2R)-oxiran-2-yl]-2-phenylethyl]carbamate;(4-nitrophenyl) oxolan-3-yl carbonate;[(3R)-oxolan-3-yl] N-[(2S,3R)-4-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-1-phenyl-3-phosphonooxybutan-2-yl]carbamate;[(3R)-oxolan-3-yl] N-[(2S,3R)-4-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]-1-phenyl-3-phosphonooxybutan-2-yl]carbamate;hydrochloride
PubChem CID158199626
Molecular FormulaC165H234ClN19O57P4S5
Molecular Weight3715.45 g/mol
Exact Mass3712.32
IUPAC Name[(2R,3S)-3-amino-1-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]-4-phenylbutan-2-yl] dihydrogen phosphate;tert-butyl N-[(2S,3R)-3-hydroxy-4-(2-methylpropylamino)-1-phenylbutan-2-yl]carbamate;tert-butyl N-[(2S,3R)-3-hydroxy-4-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]-1-phenylbutan-2-yl]carbamate;tert-butyl N-[(2S,3R)-4-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]-1-phenyl-3-phosphonooxybutan-2-yl]carbamate;tert-butyl N-[(1S)-1-[(2R)-oxiran-2-yl]-2-phenylethyl]carbamate;(4-nitrophenyl) oxolan-3-yl carbonate;[(3R)-oxolan-3-yl] N-[(2S,3R)-4-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-1-phenyl-3-phosphonooxybutan-2-yl]carbamate;[(3R)-oxolan-3-yl] N-[(2S,3R)-4-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]-1-phenyl-3-phosphonooxybutan-2-yl]carbamate;hydrochloride
SMILESCC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H]1CO1.CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1.CC(C)CN(C[C@@H](OP(=O)(O)O)[C@@H](N)Cc1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1.CC(C)CN(C[C@@H](OP(=O)(O)O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1.CC(C)CN(C[C@@H](OP(=O)(O)O)[C@H](Cc1ccccc1)NC(=O)O[C@@H]1CCOC1)S(=O)(=O)c1ccc(N)cc1.CC(C)CN(C[C@@H](OP(=O)(O)O)[C@H](Cc1ccccc1)NC(=O)O[C@@H]1CCOC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1.CC(C)CNC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C.Cl.O=C(Oc1ccc([N+](=O)[O-])cc1)OC1CCOC1
InChIInChI=1S/C25H34N3O11PS.C25H36N3O10PS.C25H36N3O9PS.C25H35N3O7S.C20H28N3O8PS.C19H32N2O3.C15H21NO3.C11H11NO6.ClH/c1-18(2)15-27(41(35,36)22-10-8-20(9-11-22)28(30)31)16-24(39-40(32,33)34)23(14-19-6-4-3-5-7-19)26-25(29)38-21-12-13-37-17-21;1-18(2)16-27(40(35,36)21-13-11-20(12-14-21)28(30)31)17-23(38-39(32,33)34)22(15-19-9-7-6-8-10-19)26-24(29)37-25(3,4)5;1-18(2)15-28(39(33,34)22-10-8-20(26)9-11-22)16-24(37-38(30,31)32)23(14-19-6-4-3-5-7-19)27-25(29)36-21-12-13-35-17-21;1-18(2)16-27(36(33,34)21-13-11-20(12-14-21)28(31)32)17-23(29)22(15-19-9-7-6-8-10-19)26-24(30)35-25(3,4)5;1-15(2)13-22(33(29,30)18-10-8-17(9-11-18)23(24)25)14-20(31-32(26,27)28)19(21)12-16-6-4-3-5-7-16;1-14(2)12-20-13-17(22)16(11-15-9-7-6-8-10-15)21-18(23)24-19(3,4)5;1-15(2,3)19-14(17)16-12(13-10-18-13)9-11-7-5-4-6-8-11;13-11(18-10-5-6-16-7-10)17-9-3-1-8(2-4-9)12(14)15;/h3-11,18,21,23-24H,12-17H2,1-2H3,(H,26,29)(H2,32,33,34);6-14,18,22-23H,15-17H2,1-5H3,(H,26,29)(H2,32,33,34);3-11,18,21,23-24H,12-17,26H2,1-2H3,(H,27,29)(H2,30,31,32);6-14,18,22-23,29H,15-17H2,1-5H3,(H,26,30);3-11,15,19-20H,12-14,21H2,1-2H3,(H2,26,27,28);6-10,14,16-17,20,22H,11-13H2,1-5H3,(H,21,23);4-8,12-13H,9-10H2,1-3H3,(H,16,17);1-4,10H,5-7H2;1H/t21-,23+,24-;22-,23+;21-,23+,24-;22-,23+;19-,20+;16-,17+;12-,13-;;/m1010000../s1
InChIKeyHOAKDRBMHDAVMX-CSLVLBRFSA-N
XLogP22.82
TPSA1079.90 Ų
H-Bond Donors19
H-Bond Acceptors52
Rotatable Bonds78
Heavy Atoms251
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003715.45
LogP ≤ 522.82
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1052

Analyze [(2R,3S)-3-amino-1-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]-4-phenylbutan-2-yl] dihydrogen phosphate;tert-butyl N-[(2S,3R)-3-hydroxy-4-(2-methylpropylamino)-1-phenylbutan-2-yl]carbamate;tert-butyl N-[(2S,3R)-3-hydroxy-4-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]-1-phenylbutan-2-yl]carbamate;tert-butyl N-[(2S,3R)-4-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]-1-phenyl-3-phosphonooxybutan-2-yl]carbamate;tert-butyl N-[(1S)-1-[(2R)-oxiran-2-yl]-2-phenylethyl]carbamate;(4-nitrophenyl) oxolan-3-yl carbonate;[(3R)-oxolan-3-yl] N-[(2S,3R)-4-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-1-phenyl-3-phosphonooxybutan-2-yl]carbamate;[(3R)-oxolan-3-yl] N-[(2S,3R)-4-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]-1-phenyl-3-phosphonooxybutan-2-yl]carbamate;hydrochloride with MolForge

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Related Compounds

tris(4-amino-N-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]-N-(2-methylpropyl)benzenesulfonamide);bis(tert-butyl N-[(2S,3R)-4-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate);tert-butyl N-[(2S,3R)-3-hydroxy-4-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]-1-phenylbutan-2-yl]carbamate;methane
CID 161478326
[(3S)-oxolan-3-yl] N-[4-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate;sulfuric acid
CID 175469431
oxolan-3-yl N-[4-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-1-phenyl-3-phosphorosooxybutan-2-yl]carbamate
CID 90908526
[(4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-1-[4-(diethoxyphosphorylmethoxy)phenyl]-3-hydroxy-4-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]butan-2-yl]carbamate;[(4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-3-hydroxy-1-(4-hydroxyphenyl)-4-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]butan-2-yl]carbamate;N-[(2R,3S)-3-amino-2-hydroxy-4-(4-hydroxyphenyl)butyl]-N-(2-methylpropyl)-4-nitrobenzenesulfonamide;tert-butyl N-[(2S,3R)-3-hydroxy-4-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]-1-(4-phenylmethoxyphenyl)butan-2-yl]carbamate;tert-butyl N-[(1S)-1-[(2S)-oxiran-2-yl]-2-(4-phenylmethoxyphenyl)ethyl]carbamate
CID 161220913
hydroxy-[(2R,3S)-1-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]-3-[[(3S)-oxolan-3-yl]oxycarbonylamino]-4-phenylbutan-2-yl]oxy-oxophosphanium
CID 159802881
[(3S)-oxolan-3-yl] N-[(2S,3R)-3-hydroxy-4-[2-methylpropyl-(2,3,5,6-tetradeuterio-4-nitrophenyl)sulfonylamino]-1-phenylbutan-2-yl]carbamate
CID 46703664
[(2R,3S)-1-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-3-[[(3S)-oxolan-3-yl]oxycarbonylamino]-4-phenylbutan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate
CID 59326257
[(3S)-oxolan-3-yl] N-[(2S,3R)-3-hydroxy-1-(4-iodophenyl)-4-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]butan-2-yl]carbamate
CID 56836975
[(3S)-oxolan-3-yl] N-[(2S,3R)-4-[benzenesulfonyl(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate
CID 121312254
[(2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-[2-methylpropyl-(4-nitrophenoxy)amino]-4-phenylbutan-2-yl] [(3S)-oxolan-3-yl] carbonate
CID 59326263
[(3S)-oxolan-3-yl] N-[(3S)-4-[(4-acetamidophenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate
CID 22868220
[1-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]-3-(oxolan-3-yloxycarbonylamino)-4-phenylbutan-2-yl] 2-propoxyacetate
CID 20582852

Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-3-amino-1-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]-4-phenylbutan-2-yl] dihydrogen phosphate;tert-butyl N-[(2S,3R)-3-hydroxy-4-(2-methylpropylamino)-1-phenylbutan-2-yl]carbamate;tert-butyl N-[(2S,3R)-3-hydroxy-4-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]-1-phenylbutan-2-yl]carbamate;tert-butyl N-[(2S,3R)-4-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]-1-phenyl-3-phosphonooxybutan-2-yl]carbamate;tert-butyl N-[(1S)-1-[(2R)-oxiran-2-yl]-2-phenylethyl]carbamate;(4-nitrophenyl) oxolan-3-yl carbonate;[(3R)-oxolan-3-yl] N-[(2S,3R)-4-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-1-phenyl-3-phosphonooxybutan-2-yl]carbamate;[(3R)-oxolan-3-yl] N-[(2S,3R)-4-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]-1-phenyl-3-phosphonooxybutan-2-yl]carbamate;hydrochloride?
The IUPAC name of [(2R,3S)-3-amino-1-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]-4-phenylbutan-2-yl] dihydrogen phosphate;tert-butyl N-[(2S,3R)-3-hydroxy-4-(2-methylpropylamino)-1-phenylbutan-2-yl]carbamate;tert-butyl N-[(2S,3R)-3-hydroxy-4-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]-1-phenylbutan-2-yl]carbamate;tert-butyl N-[(2S,3R)-4-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]-1-phenyl-3-phosphonooxybutan-2-yl]carbamate;tert-butyl N-[(1S)-1-[(2R)-oxiran-2-yl]-2-phenylethyl]carbamate;(4-nitrophenyl) oxolan-3-yl carbonate;[(3R)-oxolan-3-yl] N-[(2S,3R)-4-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-1-phenyl-3-phosphonooxybutan-2-yl]carbamate;[(3R)-oxolan-3-yl] N-[(2S,3R)-4-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]-1-phenyl-3-phosphonooxybutan-2-yl]carbamate;hydrochloride (CID 158199626) is [(2R,3S)-3-amino-1-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]-4-phenylbutan-2-yl] dihydrogen phosphate;tert-butyl N-[(2S,3R)-3-hydroxy-4-(2-methylpropylamino)-1-phenylbutan-2-yl]carbamate;tert-butyl N-[(2S,3R)-3-hydroxy-4-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]-1-phenylbutan-2-yl]carbamate;tert-butyl N-[(2S,3R)-4-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]-1-phenyl-3-phosphonooxybutan-2-yl]carbamate;tert-butyl N-[(1S)-1-[(2R)-oxiran-2-yl]-2-phenylethyl]carbamate;(4-nitrophenyl) oxolan-3-yl carbonate;[(3R)-oxolan-3-yl] N-[(2S,3R)-4-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-1-phenyl-3-phosphonooxybutan-2-yl]carbamate;[(3R)-oxolan-3-yl] N-[(2S,3R)-4-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]-1-phenyl-3-phosphonooxybutan-2-yl]carbamate;hydrochloride.
What is the SMILES notation for [(2R,3S)-3-amino-1-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]-4-phenylbutan-2-yl] dihydrogen phosphate;tert-butyl N-[(2S,3R)-3-hydroxy-4-(2-methylpropylamino)-1-phenylbutan-2-yl]carbamate;tert-butyl N-[(2S,3R)-3-hydroxy-4-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]-1-phenylbutan-2-yl]carbamate;tert-butyl N-[(2S,3R)-4-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]-1-phenyl-3-phosphonooxybutan-2-yl]carbamate;tert-butyl N-[(1S)-1-[(2R)-oxiran-2-yl]-2-phenylethyl]carbamate;(4-nitrophenyl) oxolan-3-yl carbonate;[(3R)-oxolan-3-yl] N-[(2S,3R)-4-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-1-phenyl-3-phosphonooxybutan-2-yl]carbamate;[(3R)-oxolan-3-yl] N-[(2S,3R)-4-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]-1-phenyl-3-phosphonooxybutan-2-yl]carbamate;hydrochloride?
The canonical SMILES for [(2R,3S)-3-amino-1-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]-4-phenylbutan-2-yl] dihydrogen phosphate;tert-butyl N-[(2S,3R)-3-hydroxy-4-(2-methylpropylamino)-1-phenylbutan-2-yl]carbamate;tert-butyl N-[(2S,3R)-3-hydroxy-4-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]-1-phenylbutan-2-yl]carbamate;tert-butyl N-[(2S,3R)-4-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]-1-phenyl-3-phosphonooxybutan-2-yl]carbamate;tert-butyl N-[(1S)-1-[(2R)-oxiran-2-yl]-2-phenylethyl]carbamate;(4-nitrophenyl) oxolan-3-yl carbonate;[(3R)-oxolan-3-yl] N-[(2S,3R)-4-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-1-phenyl-3-phosphonooxybutan-2-yl]carbamate;[(3R)-oxolan-3-yl] N-[(2S,3R)-4-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]-1-phenyl-3-phosphonooxybutan-2-yl]carbamate;hydrochloride is CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H]1CO1.CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1.CC(C)CN(C[C@@H](OP(=O)(O)O)[C@@H](N)Cc1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1.CC(C)CN(C[C@@H](OP(=O)(O)O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1.CC(C)CN(C[C@@H](OP(=O)(O)O)[C@H](Cc1ccccc1)NC(=O)O[C@@H]1CCOC1)S(=O)(=O)c1ccc(N)cc1.CC(C)CN(C[C@@H](OP(=O)(O)O)[C@H](Cc1ccccc1)NC(=O)O[C@@H]1CCOC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1.CC(C)CNC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C.Cl.O=C(Oc1ccc([N+](=O)[O-])cc1)OC1CCOC1.
What is the InChIKey of [(2R,3S)-3-amino-1-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]-4-phenylbutan-2-yl] dihydrogen phosphate;tert-butyl N-[(2S,3R)-3-hydroxy-4-(2-methylpropylamino)-1-phenylbutan-2-yl]carbamate;tert-butyl N-[(2S,3R)-3-hydroxy-4-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]-1-phenylbutan-2-yl]carbamate;tert-butyl N-[(2S,3R)-4-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]-1-phenyl-3-phosphonooxybutan-2-yl]carbamate;tert-butyl N-[(1S)-1-[(2R)-oxiran-2-yl]-2-phenylethyl]carbamate;(4-nitrophenyl) oxolan-3-yl carbonate;[(3R)-oxolan-3-yl] N-[(2S,3R)-4-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-1-phenyl-3-phosphonooxybutan-2-yl]carbamate;[(3R)-oxolan-3-yl] N-[(2S,3R)-4-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]-1-phenyl-3-phosphonooxybutan-2-yl]carbamate;hydrochloride?
The InChIKey is HOAKDRBMHDAVMX-CSLVLBRFSA-N. The full InChI is InChI=1S/C25H34N3O11PS.C25H36N3O10PS.C25H36N3O9PS.C25H35N3O7S.C20H28N3O8PS.C19H32N2O3.C15H21NO3.C11H11NO6.ClH/c1-18(2)15-27(41(35,36)22-10-8-20(9-11-22)28(30)31)16-24(39-40(32,33)34)23(14-19-6-4-3-5-7-19)26-25(29)38-21-12-13-37-17-21;1-18(2)16-27(40(35,36)21-13-11-20(12-14-21)28(30)31)17-23(38-39(32,33)34)22(15-19-9-7-6-8-10-19)26-24(29)37-25(3,4)5;1-18(2)15-28(39(33,34)22-10-8-20(26)9-11-22)16-24(37-38(30,31)32)23(14-19-6-4-3-5-7-19)27-25(29)36-21-12-13-35-17-21;1-18(2)16-27(36(33,34)21-13-11-20(12-14-21)28(31)32)17-23(29)22(15-19-9-7-6-8-10-19)26-24(30)35-25(3,4)5;1-15(2)13-22(33(29,30)18-10-8-17(9-11-18)23(24)25)14-20(31-32(26,27)28)19(21)12-16-6-4-3-5-7-16;1-14(2)12-20-13-17(22)16(11-15-9-7-6-8-10-15)21-18(23)24-19(3,4)5;1-15(2,3)19-14(17)16-12(13-10-18-13)9-11-7-5-4-6-8-11;13-11(18-10-5-6-16-7-10)17-9-3-1-8(2-4-9)12(14)15;/h3-11,18,21,23-24H,12-17H2,1-2H3,(H,26,29)(H2,32,33,34);6-14,18,22-23H,15-17H2,1-5H3,(H,26,29)(H2,32,33,34);3-11,18,21,23-24H,12-17,26H2,1-2H3,(H,27,29)(H2,30,31,32);6-14,18,22-23,29H,15-17H2,1-5H3,(H,26,30);3-11,15,19-20H,12-14,21H2,1-2H3,(H2,26,27,28);6-10,14,16-17,20,22H,11-13H2,1-5H3,(H,21,23);4-8,12-13H,9-10H2,1-3H3,(H,16,17);1-4,10H,5-7H2;1H/t21-,23+,24-;22-,23+;21-,23+,24-;22-,23+;19-,20+;16-,17+;12-,13-;;/m1010000../s1.
What are the key properties of [(2R,3S)-3-amino-1-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]-4-phenylbutan-2-yl] dihydrogen phosphate;tert-butyl N-[(2S,3R)-3-hydroxy-4-(2-methylpropylamino)-1-phenylbutan-2-yl]carbamate;tert-butyl N-[(2S,3R)-3-hydroxy-4-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]-1-phenylbutan-2-yl]carbamate;tert-butyl N-[(2S,3R)-4-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]-1-phenyl-3-phosphonooxybutan-2-yl]carbamate;tert-butyl N-[(1S)-1-[(2R)-oxiran-2-yl]-2-phenylethyl]carbamate;(4-nitrophenyl) oxolan-3-yl carbonate;[(3R)-oxolan-3-yl] N-[(2S,3R)-4-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-1-phenyl-3-phosphonooxybutan-2-yl]carbamate;[(3R)-oxolan-3-yl] N-[(2S,3R)-4-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]-1-phenyl-3-phosphonooxybutan-2-yl]carbamate;hydrochloride?
[(2R,3S)-3-amino-1-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]-4-phenylbutan-2-yl] dihydrogen phosphate;tert-butyl N-[(2S,3R)-3-hydroxy-4-(2-methylpropylamino)-1-phenylbutan-2-yl]carbamate;tert-butyl N-[(2S,3R)-3-hydroxy-4-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]-1-phenylbutan-2-yl]carbamate;tert-butyl N-[(2S,3R)-4-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]-1-phenyl-3-phosphonooxybutan-2-yl]carbamate;tert-butyl N-[(1S)-1-[(2R)-oxiran-2-yl]-2-phenylethyl]carbamate;(4-nitrophenyl) oxolan-3-yl carbonate;[(3R)-oxolan-3-yl] N-[(2S,3R)-4-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-1-phenyl-3-phosphonooxybutan-2-yl]carbamate;[(3R)-oxolan-3-yl] N-[(2S,3R)-4-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]-1-phenyl-3-phosphonooxybutan-2-yl]carbamate;hydrochloride has a molecular weight of 3715.45 g/mol, XLogP of 22.82, 78 rotatable bonds, 19 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-3-amino-1-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]-4-phenylbutan-2-yl] dihydrogen phosphate;tert-butyl N-[(2S,3R)-3-hydroxy-4-(2-methylpropylamino)-1-phenylbutan-2-yl]carbamate;tert-butyl N-[(2S,3R)-3-hydroxy-4-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]-1-phenylbutan-2-yl]carbamate;tert-butyl N-[(2S,3R)-4-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]-1-phenyl-3-phosphonooxybutan-2-yl]carbamate;tert-butyl N-[(1S)-1-[(2R)-oxiran-2-yl]-2-phenylethyl]carbamate;(4-nitrophenyl) oxolan-3-yl carbonate;[(3R)-oxolan-3-yl] N-[(2S,3R)-4-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-1-phenyl-3-phosphonooxybutan-2-yl]carbamate;[(3R)-oxolan-3-yl] N-[(2S,3R)-4-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]-1-phenyl-3-phosphonooxybutan-2-yl]carbamate;hydrochloride is sourced from PubChem (CID 158199626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).