azanium;bis(tert-butyl N-[(2S)-4-bromo-1-(4-nitrophenyl)-3-oxobutan-2-yl]carbamate);bis(tert-butyl N-[(2S)-4-diazo-1-(4-nitrophenyl)-3-oxobutan-2-yl]carbamate);bis(tert-butyl N-[(2S)-1-[[(1S)-2-(4-nitrophenyl)-1-(2-phenyl-1,3-thiazol-4-yl)ethyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate);(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-nitrophenyl)propanoic acid;N-[4-[(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-2-(2-phenyl-1,3-thiazol-4-yl)ethyl]phenyl]sulfamate

C167H193Br2N27O42S4 — CID 158109156

IUPACazanium;bis(tert-butyl N-[(2S)-4-bromo-1-(4-nitrophenyl)-3-oxobutan-2-yl]carbamate);bis(tert-butyl N-[(2S)-4-diazo-1-(4-nitrophenyl)-3-oxobutan-2-yl]carbamate);bis(tert-butyl N-[(2S)-1-[[(1S)-2-(4-nitrophenyl)-1-(2-phenyl-1,3-thiazol-4-yl)ethyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate);(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-nitrophenyl)propanoic acid;N-[4-[(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-2-(2-phenyl-1,3-thiazol-4-yl)ethyl]phenyl]sulfamate
SMILESCC(C)(C)OC(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)C=[N+]=[N-].CC(C)(C)OC(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)C=[N+]=[N-].CC(C)(C)OC(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)CBr.CC(C)(C)OC(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)CBr.CC(C)(C)OC(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)O.CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(NS(=O)(=O)[O-])cc1)c1csc(-c2ccccc2)n1.CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1csc(-c2ccccc2)n1.CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1csc(-c2ccccc2)n1.[NH4+]
InChIInChI=1S/C31H34N4O6S2.2C31H32N4O5S.2C15H19BrN2O5.2C15H18N4O5.C14H18N2O6.H3N/c1-31(2,3)41-30(37)34-26(19-21-10-6-4-7-11-21)28(36)32-25(18-22-14-16-24(17-15-22)35-43(38,39)40)27-20-42-29(33-27)23-12-8-5-9-13-23;2*1-31(2,3)40-30(37)34-26(19-21-10-6-4-7-11-21)28(36)32-25(18-22-14-16-24(17-15-22)35(38)39)27-20-41-29(33-27)23-12-8-5-9-13-23;2*1-15(2,3)23-14(20)17-12(13(19)9-16)8-10-4-6-11(7-5-10)18(21)22;2*1-15(2,3)24-14(21)18-12(13(20)9-17-16)8-10-4-6-11(7-5-10)19(22)23;1-14(2,3)22-13(19)15-11(12(17)18)8-9-4-6-10(7-5-9)16(20)21;/h4-17,20,25-26,35H,18-19H2,1-3H3,(H,32,36)(H,34,37)(H,38,39,40);2*4-17,20,25-26H,18-19H2,1-3H3,(H,32,36)(H,34,37);2*4-7,12H,8-9H2,1-3H3,(H,17,20);2*4-7,9,12H,8H2,1-3H3,(H,18,21);4-7,11H,8H2,1-3H3,(H,15,19)(H,17,18);1H3/t3*25-,26-;4*12-;11-;/m00000000./s1
InChIKeyYLULVDPRYRCZFK-JZKVOORGSA-N
MW3538.60 g/mol
LogP30.01
Rot. Bonds60

About azanium;bis(tert-butyl N-[(2S)-4-bromo-1-(4-nitrophenyl)-3-oxobutan-2-yl]carbamate);bis(tert-butyl N-[(2S)-4-diazo-1-(4-nitrophenyl)-3-oxobutan-2-yl]carbamate);bis(tert-butyl N-[(2S)-1-[[(1S)-2-(4-nitrophenyl)-1-(2-phenyl-1,3-thiazol-4-yl)ethyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate);(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-nitrophenyl)propanoic acid;N-[4-[(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-2-(2-phenyl-1,3-thiazol-4-yl)ethyl]phenyl]sulfamate

azanium;bis(tert-butyl N-[(2S)-4-bromo-1-(4-nitrophenyl)-3-oxobutan-2-yl]carbamate);bis(tert-butyl N-[(2S)-4-diazo-1-(4-nitrophenyl)-3-oxobutan-2-yl]carbamate);bis(tert-butyl N-[(2S)-1-[[(1S)-2-(4-nitrophenyl)-1-(2-phenyl-1,3-thiazol-4-yl)ethyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate);(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-nitrophenyl)propanoic acid;N-[4-[(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-2-(2-phenyl-1,3-thiazol-4-yl)ethyl]phenyl]sulfamate (PubChem CID 158109156) has the molecular formula C167H193Br2N27O42S4 and a molecular weight of 3538.60 g/mol. Its IUPAC name is azanium;bis(tert-butyl N-[(2S)-4-bromo-1-(4-nitrophenyl)-3-oxobutan-2-yl]carbamate);bis(tert-butyl N-[(2S)-4-diazo-1-(4-nitrophenyl)-3-oxobutan-2-yl]carbamate);bis(tert-butyl N-[(2S)-1-[[(1S)-2-(4-nitrophenyl)-1-(2-phenyl-1,3-thiazol-4-yl)ethyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate);(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-nitrophenyl)propanoic acid;N-[4-[(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-2-(2-phenyl-1,3-thiazol-4-yl)ethyl]phenyl]sulfamate.

Molecular Properties

Compound Nameazanium;bis(tert-butyl N-[(2S)-4-bromo-1-(4-nitrophenyl)-3-oxobutan-2-yl]carbamate);bis(tert-butyl N-[(2S)-4-diazo-1-(4-nitrophenyl)-3-oxobutan-2-yl]carbamate);bis(tert-butyl N-[(2S)-1-[[(1S)-2-(4-nitrophenyl)-1-(2-phenyl-1,3-thiazol-4-yl)ethyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate);(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-nitrophenyl)propanoic acid;N-[4-[(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-2-(2-phenyl-1,3-thiazol-4-yl)ethyl]phenyl]sulfamate
PubChem CID158109156
Molecular FormulaC167H193Br2N27O42S4
Molecular Weight3538.60 g/mol
Exact Mass3534.10
IUPAC Nameazanium;bis(tert-butyl N-[(2S)-4-bromo-1-(4-nitrophenyl)-3-oxobutan-2-yl]carbamate);bis(tert-butyl N-[(2S)-4-diazo-1-(4-nitrophenyl)-3-oxobutan-2-yl]carbamate);bis(tert-butyl N-[(2S)-1-[[(1S)-2-(4-nitrophenyl)-1-(2-phenyl-1,3-thiazol-4-yl)ethyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate);(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-nitrophenyl)propanoic acid;N-[4-[(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-2-(2-phenyl-1,3-thiazol-4-yl)ethyl]phenyl]sulfamate
SMILESCC(C)(C)OC(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)C=[N+]=[N-].CC(C)(C)OC(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)C=[N+]=[N-].CC(C)(C)OC(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)CBr.CC(C)(C)OC(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)CBr.CC(C)(C)OC(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)O.CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(NS(=O)(=O)[O-])cc1)c1csc(-c2ccccc2)n1.CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1csc(-c2ccccc2)n1.CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1csc(-c2ccccc2)n1.[NH4+]
InChIInChI=1S/C31H34N4O6S2.2C31H32N4O5S.2C15H19BrN2O5.2C15H18N4O5.C14H18N2O6.H3N/c1-31(2,3)41-30(37)34-26(19-21-10-6-4-7-11-21)28(36)32-25(18-22-14-16-24(17-15-22)35-43(38,39)40)27-20-42-29(33-27)23-12-8-5-9-13-23;2*1-31(2,3)40-30(37)34-26(19-21-10-6-4-7-11-21)28(36)32-25(18-22-14-16-24(17-15-22)35(38)39)27-20-41-29(33-27)23-12-8-5-9-13-23;2*1-15(2,3)23-14(20)17-12(13(19)9-16)8-10-4-6-11(7-5-10)18(21)22;2*1-15(2,3)24-14(21)18-12(13(20)9-17-16)8-10-4-6-11(7-5-10)19(22)23;1-14(2,3)22-13(19)15-11(12(17)18)8-9-4-6-10(7-5-9)16(20)21;/h4-17,20,25-26,35H,18-19H2,1-3H3,(H,32,36)(H,34,37)(H,38,39,40);2*4-17,20,25-26H,18-19H2,1-3H3,(H,32,36)(H,34,37);2*4-7,12H,8-9H2,1-3H3,(H,17,20);2*4-7,9,12H,8H2,1-3H3,(H,18,21);4-7,11H,8H2,1-3H3,(H,15,19)(H,17,18);1H3/t3*25-,26-;4*12-;11-;/m00000000./s1
InChIKeyYLULVDPRYRCZFK-JZKVOORGSA-N
XLogP30.01
TPSA1018.70 Ų
H-Bond Donors14
H-Bond Acceptors47
Rotatable Bonds60
Heavy Atoms242
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003538.60
LogP ≤ 530.01
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1047

Analyze azanium;bis(tert-butyl N-[(2S)-4-bromo-1-(4-nitrophenyl)-3-oxobutan-2-yl]carbamate);bis(tert-butyl N-[(2S)-4-diazo-1-(4-nitrophenyl)-3-oxobutan-2-yl]carbamate);bis(tert-butyl N-[(2S)-1-[[(1S)-2-(4-nitrophenyl)-1-(2-phenyl-1,3-thiazol-4-yl)ethyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate);(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-nitrophenyl)propanoic acid;N-[4-[(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-2-(2-phenyl-1,3-thiazol-4-yl)ethyl]phenyl]sulfamate with MolForge

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Related Compounds

tert-butyl N-[1-[[2-(4-nitrophenyl)-1-(2-phenyl-1,3-thiazol-4-yl)ethyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 76653712
tert-butyl acetate;tert-butyl N-[(2S)-4-bromo-1-(4-nitrophenyl)-3-oxobutan-2-yl]carbamate;[4-[(2S)-2-(2-ethyl-1,3-thiazol-4-yl)-2-[[(2S)-2-(methoxycarbonylamino)-3-phenylpropanoyl]amino]ethyl]phenyl]sulfamic acid;bis(methyl N-[(2S)-1-[[(1S)-1-(2-ethyl-1,3-thiazol-4-yl)-2-(4-nitrophenyl)ethyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate)
CID 162187115
ethane;methanamine;N-[4-[(2S)-2-[[(2S)-2-(methoxycarbonylamino)-3-phenylpropanoyl]amino]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]phenyl]sulfamate;bis(methyl N-[(2S)-1-[[(1S)-2-(4-aminophenyl)-1-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate);methyl N-[(2S)-1-[[(1S)-2-(4-nitrophenyl)-1-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 160862315
[4-[2-[[2-(methoxycarbonylamino)-3-phenylpropanoyl]amino]-2-(2-phenyl-1,3-thiazol-4-yl)ethyl]phenyl]sulfamic acid
CID 57497740
tert-butyl N-[(2S)-1-(4-nitrophenyl)-3-oxopentan-2-yl]carbamate;methyl N-[(2S)-1-[[(1S)-2-(4-aminophenyl)-1-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate;methyl N-[(2S)-1-[[(1S)-2-(4-nitrophenyl)-1-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate;(1S)-2-(4-nitrophenyl)-1-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethanamine
CID 167533546
methane;methyl N-[(2R)-1-[[(1S)-2-(4-nitrophenyl)-1-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 158802663
methyl N-[(2R)-1-[[(1R)-2-(4-aminophenyl)-1-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate;methyl N-[(2R)-1-[[(1R)-2-(4-nitrophenyl)-1-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 157203434
2-bromo-1-phenylethanone;tert-butyl N-[(2S)-1-amino-3-(4-nitrophenyl)-1-sulfanylidenepropan-2-yl]carbamate;bis(tert-butyl N-[(1S)-2-(4-nitrophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)ethyl]carbamate);methane;[4-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(4-phenyl-1,3-thiazol-2-yl)ethyl]phenyl]sulfamic acid
CID 157425340
tert-butyl N-[(2S)-4-bromo-1-(4-nitrophenyl)-3-oxobutan-2-yl]carbamate;bis(2-(3-chlorophenyl)-N-[(1S)-2-(4-nitrophenyl)-1-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]acetamide);bis((1S)-2-(4-nitrophenyl)-1-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethanamine);thiophene-2-carbothioamide;dihydrobromide
CID 159935611
2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-nitrophenyl)(113C)propanoic acid
CID 165413550
4-[(1S)-1-[[(2S)-2-(methoxycarbonylamino)-3-phenylpropanoyl]amino]-2-[4-(sulfinatoamino)phenyl]ethyl]-2-phenyl-1,3-thiazole
CID 134173739
[4-[2-[[2-(methoxycarbonylamino)-3-phenylpropanoyl]amino]-2-[2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]ethyl]phenyl]sulfamic acid
CID 57497741

Frequently Asked Questions

What is the IUPAC name of azanium;bis(tert-butyl N-[(2S)-4-bromo-1-(4-nitrophenyl)-3-oxobutan-2-yl]carbamate);bis(tert-butyl N-[(2S)-4-diazo-1-(4-nitrophenyl)-3-oxobutan-2-yl]carbamate);bis(tert-butyl N-[(2S)-1-[[(1S)-2-(4-nitrophenyl)-1-(2-phenyl-1,3-thiazol-4-yl)ethyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate);(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-nitrophenyl)propanoic acid;N-[4-[(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-2-(2-phenyl-1,3-thiazol-4-yl)ethyl]phenyl]sulfamate?
The IUPAC name of azanium;bis(tert-butyl N-[(2S)-4-bromo-1-(4-nitrophenyl)-3-oxobutan-2-yl]carbamate);bis(tert-butyl N-[(2S)-4-diazo-1-(4-nitrophenyl)-3-oxobutan-2-yl]carbamate);bis(tert-butyl N-[(2S)-1-[[(1S)-2-(4-nitrophenyl)-1-(2-phenyl-1,3-thiazol-4-yl)ethyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate);(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-nitrophenyl)propanoic acid;N-[4-[(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-2-(2-phenyl-1,3-thiazol-4-yl)ethyl]phenyl]sulfamate (CID 158109156) is azanium;bis(tert-butyl N-[(2S)-4-bromo-1-(4-nitrophenyl)-3-oxobutan-2-yl]carbamate);bis(tert-butyl N-[(2S)-4-diazo-1-(4-nitrophenyl)-3-oxobutan-2-yl]carbamate);bis(tert-butyl N-[(2S)-1-[[(1S)-2-(4-nitrophenyl)-1-(2-phenyl-1,3-thiazol-4-yl)ethyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate);(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-nitrophenyl)propanoic acid;N-[4-[(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-2-(2-phenyl-1,3-thiazol-4-yl)ethyl]phenyl]sulfamate.
What is the SMILES notation for azanium;bis(tert-butyl N-[(2S)-4-bromo-1-(4-nitrophenyl)-3-oxobutan-2-yl]carbamate);bis(tert-butyl N-[(2S)-4-diazo-1-(4-nitrophenyl)-3-oxobutan-2-yl]carbamate);bis(tert-butyl N-[(2S)-1-[[(1S)-2-(4-nitrophenyl)-1-(2-phenyl-1,3-thiazol-4-yl)ethyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate);(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-nitrophenyl)propanoic acid;N-[4-[(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-2-(2-phenyl-1,3-thiazol-4-yl)ethyl]phenyl]sulfamate?
The canonical SMILES for azanium;bis(tert-butyl N-[(2S)-4-bromo-1-(4-nitrophenyl)-3-oxobutan-2-yl]carbamate);bis(tert-butyl N-[(2S)-4-diazo-1-(4-nitrophenyl)-3-oxobutan-2-yl]carbamate);bis(tert-butyl N-[(2S)-1-[[(1S)-2-(4-nitrophenyl)-1-(2-phenyl-1,3-thiazol-4-yl)ethyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate);(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-nitrophenyl)propanoic acid;N-[4-[(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-2-(2-phenyl-1,3-thiazol-4-yl)ethyl]phenyl]sulfamate is CC(C)(C)OC(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)C=[N+]=[N-].CC(C)(C)OC(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)C=[N+]=[N-].CC(C)(C)OC(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)CBr.CC(C)(C)OC(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)CBr.CC(C)(C)OC(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)O.CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(NS(=O)(=O)[O-])cc1)c1csc(-c2ccccc2)n1.CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1csc(-c2ccccc2)n1.CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1csc(-c2ccccc2)n1.[NH4+].
What is the InChIKey of azanium;bis(tert-butyl N-[(2S)-4-bromo-1-(4-nitrophenyl)-3-oxobutan-2-yl]carbamate);bis(tert-butyl N-[(2S)-4-diazo-1-(4-nitrophenyl)-3-oxobutan-2-yl]carbamate);bis(tert-butyl N-[(2S)-1-[[(1S)-2-(4-nitrophenyl)-1-(2-phenyl-1,3-thiazol-4-yl)ethyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate);(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-nitrophenyl)propanoic acid;N-[4-[(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-2-(2-phenyl-1,3-thiazol-4-yl)ethyl]phenyl]sulfamate?
The InChIKey is YLULVDPRYRCZFK-JZKVOORGSA-N. The full InChI is InChI=1S/C31H34N4O6S2.2C31H32N4O5S.2C15H19BrN2O5.2C15H18N4O5.C14H18N2O6.H3N/c1-31(2,3)41-30(37)34-26(19-21-10-6-4-7-11-21)28(36)32-25(18-22-14-16-24(17-15-22)35-43(38,39)40)27-20-42-29(33-27)23-12-8-5-9-13-23;2*1-31(2,3)40-30(37)34-26(19-21-10-6-4-7-11-21)28(36)32-25(18-22-14-16-24(17-15-22)35(38)39)27-20-41-29(33-27)23-12-8-5-9-13-23;2*1-15(2,3)23-14(20)17-12(13(19)9-16)8-10-4-6-11(7-5-10)18(21)22;2*1-15(2,3)24-14(21)18-12(13(20)9-17-16)8-10-4-6-11(7-5-10)19(22)23;1-14(2,3)22-13(19)15-11(12(17)18)8-9-4-6-10(7-5-9)16(20)21;/h4-17,20,25-26,35H,18-19H2,1-3H3,(H,32,36)(H,34,37)(H,38,39,40);2*4-17,20,25-26H,18-19H2,1-3H3,(H,32,36)(H,34,37);2*4-7,12H,8-9H2,1-3H3,(H,17,20);2*4-7,9,12H,8H2,1-3H3,(H,18,21);4-7,11H,8H2,1-3H3,(H,15,19)(H,17,18);1H3/t3*25-,26-;4*12-;11-;/m00000000./s1.
What are the key properties of azanium;bis(tert-butyl N-[(2S)-4-bromo-1-(4-nitrophenyl)-3-oxobutan-2-yl]carbamate);bis(tert-butyl N-[(2S)-4-diazo-1-(4-nitrophenyl)-3-oxobutan-2-yl]carbamate);bis(tert-butyl N-[(2S)-1-[[(1S)-2-(4-nitrophenyl)-1-(2-phenyl-1,3-thiazol-4-yl)ethyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate);(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-nitrophenyl)propanoic acid;N-[4-[(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-2-(2-phenyl-1,3-thiazol-4-yl)ethyl]phenyl]sulfamate?
azanium;bis(tert-butyl N-[(2S)-4-bromo-1-(4-nitrophenyl)-3-oxobutan-2-yl]carbamate);bis(tert-butyl N-[(2S)-4-diazo-1-(4-nitrophenyl)-3-oxobutan-2-yl]carbamate);bis(tert-butyl N-[(2S)-1-[[(1S)-2-(4-nitrophenyl)-1-(2-phenyl-1,3-thiazol-4-yl)ethyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate);(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-nitrophenyl)propanoic acid;N-[4-[(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-2-(2-phenyl-1,3-thiazol-4-yl)ethyl]phenyl]sulfamate has a molecular weight of 3538.60 g/mol, XLogP of 30.01, 60 rotatable bonds, 14 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for azanium;bis(tert-butyl N-[(2S)-4-bromo-1-(4-nitrophenyl)-3-oxobutan-2-yl]carbamate);bis(tert-butyl N-[(2S)-4-diazo-1-(4-nitrophenyl)-3-oxobutan-2-yl]carbamate);bis(tert-butyl N-[(2S)-1-[[(1S)-2-(4-nitrophenyl)-1-(2-phenyl-1,3-thiazol-4-yl)ethyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate);(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-nitrophenyl)propanoic acid;N-[4-[(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-2-(2-phenyl-1,3-thiazol-4-yl)ethyl]phenyl]sulfamate is sourced from PubChem (CID 158109156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).