2-[(4-amino-1-carboxy-4-sulfanylidenebutyl)carbamoyloxy]benzoic acid;5-amino-2-(methylcarbamoylamino)-5-sulfanylidenepentanoic acid;tert-butyl 5-amino-2-(methylcarbamoylamino)-5-sulfanylidenepentanoate;tert-butyl 2-[[5-amino-1-[(2-methylpropan-2-yl)oxy]-1-oxo-5-sulfanylidenepentan-2-yl]carbamoyloxy]benzoate;bis(tert-butyl 2-carboxyoxybenzoate);tert-butyl 2,5-diamino-5-sulfanylidenepentanoate;tert-butyl 2-hydroxybenzoate;bis(tert-butyl 2-methylbenzoate);bis(tert-butyl N-methylcarbamate);2-hydroxybenzoic acid;hydroxy N-methylmethanimidate;methanamine;methylcarbamic acid

C145H222N18O48S5 — CID 159817174

IUPAC2-[(4-amino-1-carboxy-4-sulfanylidenebutyl)carbamoyloxy]benzoic acid;5-amino-2-(methylcarbamoylamino)-5-sulfanylidenepentanoic acid;tert-butyl 5-amino-2-(methylcarbamoylamino)-5-sulfanylidenepentanoate;tert-butyl 2-[[5-amino-1-[(2-methylpropan-2-yl)oxy]-1-oxo-5-sulfanylidenepentan-2-yl]carbamoyloxy]benzoate;bis(tert-butyl 2-carboxyoxybenzoate);tert-butyl 2,5-diamino-5-sulfanylidenepentanoate;tert-butyl 2-hydroxybenzoate;bis(tert-butyl 2-methylbenzoate);bis(tert-butyl N-methylcarbamate);2-hydroxybenzoic acid;hydroxy N-methylmethanimidate;methanamine;methylcarbamic acid
SMILESC/N=C/OO.CC(C)(C)OC(=O)C(N)CCC(N)=S.CC(C)(C)OC(=O)c1ccccc1O.CC(C)(C)OC(=O)c1ccccc1OC(=O)NC(CCC(N)=S)C(=O)OC(C)(C)C.CC(C)(C)OC(=O)c1ccccc1OC(=O)O.CC(C)(C)OC(=O)c1ccccc1OC(=O)O.CN.CN.CNC(=O)NC(CCC(N)=S)C(=O)O.CNC(=O)NC(CCC(N)=S)C(=O)OC(C)(C)C.CNC(=O)O.CNC(=O)OC(C)(C)C.CNC(=O)OC(C)(C)C.Cc1ccccc1C(=O)OC(C)(C)C.Cc1ccccc1C(=O)OC(C)(C)C.NC(=S)CCC(NC(=O)Oc1ccccc1C(=O)O)C(=O)O.O=C(O)c1ccccc1O
InChIInChI=1S/C21H30N2O6S.C13H14N2O6S.2C12H14O5.2C12H16O2.C11H21N3O3S.C11H14O3.C9H18N2O2S.C7H13N3O3S.C7H6O3.2C6H13NO2.2C2H5NO2.2CH5N/c1-20(2,3)28-17(24)13-9-7-8-10-15(13)27-19(26)23-14(11-12-16(22)30)18(25)29-21(4,5)6;14-10(22)6-5-8(12(18)19)15-13(20)21-9-4-2-1-3-7(9)11(16)17;2*1-12(2,3)17-10(13)8-6-4-5-7-9(8)16-11(14)15;2*1-9-7-5-6-8-10(9)11(13)14-12(2,3)4;1-11(2,3)17-9(15)7(5-6-8(12)18)14-10(16)13-4;1-11(2,3)14-10(13)8-6-4-5-7-9(8)12;1-9(2,3)13-8(12)6(10)4-5-7(11)14;1-9-7(13)10-4(6(11)12)2-3-5(8)14;8-6-4-2-1-3-5(6)7(9)10;2*1-6(2,3)9-5(8)7-4;1-3-2-5-4;1-3-2(4)5;2*1-2/h7-10,14H,11-12H2,1-6H3,(H2,22,30)(H,23,26);1-4,8H,5-6H2,(H2,14,22)(H,15,20)(H,16,17)(H,18,19);2*4-7H,1-3H3,(H,14,15);2*5-8H,1-4H3;7H,5-6H2,1-4H3,(H2,12,18)(H2,13,14,16);4-7,12H,1-3H3;6H,4-5,10H2,1-3H3,(H2,11,14);4H,2-3H2,1H3,(H2,8,14)(H,11,12)(H2,9,10,13);1-4,8H,(H,9,10);2*1-4H3,(H,7,8);2,4H,1H3;3H,1H3,(H,4,5);2*2H2,1H3/b;;;;;;;;;;;;;3-2+;;;
InChIKeyNLTKADSJSLYVBD-ZXVGSVDJSA-N
MW3145.78 g/mol
LogP21.53
Rot. Bonds37

About 2-[(4-amino-1-carboxy-4-sulfanylidenebutyl)carbamoyloxy]benzoic acid;5-amino-2-(methylcarbamoylamino)-5-sulfanylidenepentanoic acid;tert-butyl 5-amino-2-(methylcarbamoylamino)-5-sulfanylidenepentanoate;tert-butyl 2-[[5-amino-1-[(2-methylpropan-2-yl)oxy]-1-oxo-5-sulfanylidenepentan-2-yl]carbamoyloxy]benzoate;bis(tert-butyl 2-carboxyoxybenzoate);tert-butyl 2,5-diamino-5-sulfanylidenepentanoate;tert-butyl 2-hydroxybenzoate;bis(tert-butyl 2-methylbenzoate);bis(tert-butyl N-methylcarbamate);2-hydroxybenzoic acid;hydroxy N-methylmethanimidate;methanamine;methylcarbamic acid

2-[(4-amino-1-carboxy-4-sulfanylidenebutyl)carbamoyloxy]benzoic acid;5-amino-2-(methylcarbamoylamino)-5-sulfanylidenepentanoic acid;tert-butyl 5-amino-2-(methylcarbamoylamino)-5-sulfanylidenepentanoate;tert-butyl 2-[[5-amino-1-[(2-methylpropan-2-yl)oxy]-1-oxo-5-sulfanylidenepentan-2-yl]carbamoyloxy]benzoate;bis(tert-butyl 2-carboxyoxybenzoate);tert-butyl 2,5-diamino-5-sulfanylidenepentanoate;tert-butyl 2-hydroxybenzoate;bis(tert-butyl 2-methylbenzoate);bis(tert-butyl N-methylcarbamate);2-hydroxybenzoic acid;hydroxy N-methylmethanimidate;methanamine;methylcarbamic acid (PubChem CID 159817174) has the molecular formula C145H222N18O48S5 and a molecular weight of 3145.78 g/mol. Its IUPAC name is 2-[(4-amino-1-carboxy-4-sulfanylidenebutyl)carbamoyloxy]benzoic acid;5-amino-2-(methylcarbamoylamino)-5-sulfanylidenepentanoic acid;tert-butyl 5-amino-2-(methylcarbamoylamino)-5-sulfanylidenepentanoate;tert-butyl 2-[[5-amino-1-[(2-methylpropan-2-yl)oxy]-1-oxo-5-sulfanylidenepentan-2-yl]carbamoyloxy]benzoate;bis(tert-butyl 2-carboxyoxybenzoate);tert-butyl 2,5-diamino-5-sulfanylidenepentanoate;tert-butyl 2-hydroxybenzoate;bis(tert-butyl 2-methylbenzoate);bis(tert-butyl N-methylcarbamate);2-hydroxybenzoic acid;hydroxy N-methylmethanimidate;methanamine;methylcarbamic acid.

Molecular Properties

Compound Name2-[(4-amino-1-carboxy-4-sulfanylidenebutyl)carbamoyloxy]benzoic acid;5-amino-2-(methylcarbamoylamino)-5-sulfanylidenepentanoic acid;tert-butyl 5-amino-2-(methylcarbamoylamino)-5-sulfanylidenepentanoate;tert-butyl 2-[[5-amino-1-[(2-methylpropan-2-yl)oxy]-1-oxo-5-sulfanylidenepentan-2-yl]carbamoyloxy]benzoate;bis(tert-butyl 2-carboxyoxybenzoate);tert-butyl 2,5-diamino-5-sulfanylidenepentanoate;tert-butyl 2-hydroxybenzoate;bis(tert-butyl 2-methylbenzoate);bis(tert-butyl N-methylcarbamate);2-hydroxybenzoic acid;hydroxy N-methylmethanimidate;methanamine;methylcarbamic acid
PubChem CID159817174
Molecular FormulaC145H222N18O48S5
Molecular Weight3145.78 g/mol
Exact Mass3143.41
IUPAC Name2-[(4-amino-1-carboxy-4-sulfanylidenebutyl)carbamoyloxy]benzoic acid;5-amino-2-(methylcarbamoylamino)-5-sulfanylidenepentanoic acid;tert-butyl 5-amino-2-(methylcarbamoylamino)-5-sulfanylidenepentanoate;tert-butyl 2-[[5-amino-1-[(2-methylpropan-2-yl)oxy]-1-oxo-5-sulfanylidenepentan-2-yl]carbamoyloxy]benzoate;bis(tert-butyl 2-carboxyoxybenzoate);tert-butyl 2,5-diamino-5-sulfanylidenepentanoate;tert-butyl 2-hydroxybenzoate;bis(tert-butyl 2-methylbenzoate);bis(tert-butyl N-methylcarbamate);2-hydroxybenzoic acid;hydroxy N-methylmethanimidate;methanamine;methylcarbamic acid
SMILESC/N=C/OO.CC(C)(C)OC(=O)C(N)CCC(N)=S.CC(C)(C)OC(=O)c1ccccc1O.CC(C)(C)OC(=O)c1ccccc1OC(=O)NC(CCC(N)=S)C(=O)OC(C)(C)C.CC(C)(C)OC(=O)c1ccccc1OC(=O)O.CC(C)(C)OC(=O)c1ccccc1OC(=O)O.CN.CN.CNC(=O)NC(CCC(N)=S)C(=O)O.CNC(=O)NC(CCC(N)=S)C(=O)OC(C)(C)C.CNC(=O)O.CNC(=O)OC(C)(C)C.CNC(=O)OC(C)(C)C.Cc1ccccc1C(=O)OC(C)(C)C.Cc1ccccc1C(=O)OC(C)(C)C.NC(=S)CCC(NC(=O)Oc1ccccc1C(=O)O)C(=O)O.O=C(O)c1ccccc1O
InChIInChI=1S/C21H30N2O6S.C13H14N2O6S.2C12H14O5.2C12H16O2.C11H21N3O3S.C11H14O3.C9H18N2O2S.C7H13N3O3S.C7H6O3.2C6H13NO2.2C2H5NO2.2CH5N/c1-20(2,3)28-17(24)13-9-7-8-10-15(13)27-19(26)23-14(11-12-16(22)30)18(25)29-21(4,5)6;14-10(22)6-5-8(12(18)19)15-13(20)21-9-4-2-1-3-7(9)11(16)17;2*1-12(2,3)17-10(13)8-6-4-5-7-9(8)16-11(14)15;2*1-9-7-5-6-8-10(9)11(13)14-12(2,3)4;1-11(2,3)17-9(15)7(5-6-8(12)18)14-10(16)13-4;1-11(2,3)14-10(13)8-6-4-5-7-9(8)12;1-9(2,3)13-8(12)6(10)4-5-7(11)14;1-9-7(13)10-4(6(11)12)2-3-5(8)14;8-6-4-2-1-3-5(6)7(9)10;2*1-6(2,3)9-5(8)7-4;1-3-2-5-4;1-3-2(4)5;2*1-2/h7-10,14H,11-12H2,1-6H3,(H2,22,30)(H,23,26);1-4,8H,5-6H2,(H2,14,22)(H,15,20)(H,16,17)(H,18,19);2*4-7H,1-3H3,(H,14,15);2*5-8H,1-4H3;7H,5-6H2,1-4H3,(H2,12,18)(H2,13,14,16);4-7,12H,1-3H3;6H,4-5,10H2,1-3H3,(H2,11,14);4H,2-3H2,1H3,(H2,8,14)(H,11,12)(H2,9,10,13);1-4,8H,(H,9,10);2*1-4H3,(H,7,8);2,4H,1H3;3H,1H3,(H,4,5);2*2H2,1H3/b;;;;;;;;;;;;;3-2+;;;
InChIKeyNLTKADSJSLYVBD-ZXVGSVDJSA-N
XLogP21.53
TPSA1054.31 Ų
H-Bond Donors27
H-Bond Acceptors50
Rotatable Bonds37
Heavy Atoms216
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003145.78
LogP ≤ 521.53
H-Bond Donors ≤ 527
H-Bond Acceptors ≤ 1050

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze 2-[(4-amino-1-carboxy-4-sulfanylidenebutyl)carbamoyloxy]benzoic acid;5-amino-2-(methylcarbamoylamino)-5-sulfanylidenepentanoic acid;tert-butyl 5-amino-2-(methylcarbamoylamino)-5-sulfanylidenepentanoate;tert-butyl 2-[[5-amino-1-[(2-methylpropan-2-yl)oxy]-1-oxo-5-sulfanylidenepentan-2-yl]carbamoyloxy]benzoate;bis(tert-butyl 2-carboxyoxybenzoate);tert-butyl 2,5-diamino-5-sulfanylidenepentanoate;tert-butyl 2-hydroxybenzoate;bis(tert-butyl 2-methylbenzoate);bis(tert-butyl N-methylcarbamate);2-hydroxybenzoic acid;hydroxy N-methylmethanimidate;methanamine;methylcarbamic acid with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 5-amino-2-[(2-methylbenzoyl)amino]-5-sulfanylidenepentanoate;tert-butyl N-methylcarbamate
CID 91426774
2-acetamido-3-sulfanylpropanoic acid;bis(2-(2-acetamido-3-sulfanylpropanoyl)oxybenzoic acid);bis(tert-butyl N-methylcarbamate);bis(2-hydroxybenzoic acid);methanamine
CID 162107086
bis(tert-butyl 2-carboxyoxybenzoate);tert-butyl 2-hydroxybenzoate;tert-butyl 2-[4-[4-(4-hydroxyphenyl)-2,4-bis(sulfanylidene)-1,3,2λ5,4λ5-dithiadiphosphetan-2-yl]phenoxy]carbonyloxybenzoate;bis(tert-butyl 2-methylbenzoate);bis(tert-butyl N-methylcarbamate);3,3-dichloro-1,1,1-trifluoropropan-2-one;4-[4-(4-hydroxyphenyl)-2,4-bis(sulfanylidene)-1,3,2λ5,4λ5-dithiadiphosphetan-2-yl]phenol;[4-[4-(4-hydroxyphenyl)-2,4-bis(sulfanylidene)-1,3,2λ5,4λ5-dithiadiphosphetan-2-yl]phenyl] N-methylcarbamate;methanamine;methane;methylcarbamic acid
CID 159668847
4-amino-2-[(4-amino-1-carboxy-4-sulfanylidenebutyl)carbamoyloxy]benzoic acid
CID 11976848
ethyl (2R)-5-(2-methylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate
CID 10545741
methane;5-(2-methylphenyl)imino-2-[(2-methylpropan-2-yl)oxycarbonylamino]hept-6-enoic acid
CID 145392999
(2S)-5-amino-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutanoyl]amino]-5-oxopentanoic acid
CID 153286593
(2S)-3-(2-carbamoylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 2762267
CID 71111006
CID 71111006
ethyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-phenylpentanoate
CID 10472126
(2S)-6-amino-7-[(2-methylpropan-2-yl)oxy]-7-oxo-2-(phenylmethoxycarbonylamino)heptanoic acid
CID 141109362
tert-butyl 2-butoxybenzoate;methylcarbamic acid
CID 143334798

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-1-carboxy-4-sulfanylidenebutyl)carbamoyloxy]benzoic acid;5-amino-2-(methylcarbamoylamino)-5-sulfanylidenepentanoic acid;tert-butyl 5-amino-2-(methylcarbamoylamino)-5-sulfanylidenepentanoate;tert-butyl 2-[[5-amino-1-[(2-methylpropan-2-yl)oxy]-1-oxo-5-sulfanylidenepentan-2-yl]carbamoyloxy]benzoate;bis(tert-butyl 2-carboxyoxybenzoate);tert-butyl 2,5-diamino-5-sulfanylidenepentanoate;tert-butyl 2-hydroxybenzoate;bis(tert-butyl 2-methylbenzoate);bis(tert-butyl N-methylcarbamate);2-hydroxybenzoic acid;hydroxy N-methylmethanimidate;methanamine;methylcarbamic acid?
The IUPAC name of 2-[(4-amino-1-carboxy-4-sulfanylidenebutyl)carbamoyloxy]benzoic acid;5-amino-2-(methylcarbamoylamino)-5-sulfanylidenepentanoic acid;tert-butyl 5-amino-2-(methylcarbamoylamino)-5-sulfanylidenepentanoate;tert-butyl 2-[[5-amino-1-[(2-methylpropan-2-yl)oxy]-1-oxo-5-sulfanylidenepentan-2-yl]carbamoyloxy]benzoate;bis(tert-butyl 2-carboxyoxybenzoate);tert-butyl 2,5-diamino-5-sulfanylidenepentanoate;tert-butyl 2-hydroxybenzoate;bis(tert-butyl 2-methylbenzoate);bis(tert-butyl N-methylcarbamate);2-hydroxybenzoic acid;hydroxy N-methylmethanimidate;methanamine;methylcarbamic acid (CID 159817174) is 2-[(4-amino-1-carboxy-4-sulfanylidenebutyl)carbamoyloxy]benzoic acid;5-amino-2-(methylcarbamoylamino)-5-sulfanylidenepentanoic acid;tert-butyl 5-amino-2-(methylcarbamoylamino)-5-sulfanylidenepentanoate;tert-butyl 2-[[5-amino-1-[(2-methylpropan-2-yl)oxy]-1-oxo-5-sulfanylidenepentan-2-yl]carbamoyloxy]benzoate;bis(tert-butyl 2-carboxyoxybenzoate);tert-butyl 2,5-diamino-5-sulfanylidenepentanoate;tert-butyl 2-hydroxybenzoate;bis(tert-butyl 2-methylbenzoate);bis(tert-butyl N-methylcarbamate);2-hydroxybenzoic acid;hydroxy N-methylmethanimidate;methanamine;methylcarbamic acid.
What is the SMILES notation for 2-[(4-amino-1-carboxy-4-sulfanylidenebutyl)carbamoyloxy]benzoic acid;5-amino-2-(methylcarbamoylamino)-5-sulfanylidenepentanoic acid;tert-butyl 5-amino-2-(methylcarbamoylamino)-5-sulfanylidenepentanoate;tert-butyl 2-[[5-amino-1-[(2-methylpropan-2-yl)oxy]-1-oxo-5-sulfanylidenepentan-2-yl]carbamoyloxy]benzoate;bis(tert-butyl 2-carboxyoxybenzoate);tert-butyl 2,5-diamino-5-sulfanylidenepentanoate;tert-butyl 2-hydroxybenzoate;bis(tert-butyl 2-methylbenzoate);bis(tert-butyl N-methylcarbamate);2-hydroxybenzoic acid;hydroxy N-methylmethanimidate;methanamine;methylcarbamic acid?
The canonical SMILES for 2-[(4-amino-1-carboxy-4-sulfanylidenebutyl)carbamoyloxy]benzoic acid;5-amino-2-(methylcarbamoylamino)-5-sulfanylidenepentanoic acid;tert-butyl 5-amino-2-(methylcarbamoylamino)-5-sulfanylidenepentanoate;tert-butyl 2-[[5-amino-1-[(2-methylpropan-2-yl)oxy]-1-oxo-5-sulfanylidenepentan-2-yl]carbamoyloxy]benzoate;bis(tert-butyl 2-carboxyoxybenzoate);tert-butyl 2,5-diamino-5-sulfanylidenepentanoate;tert-butyl 2-hydroxybenzoate;bis(tert-butyl 2-methylbenzoate);bis(tert-butyl N-methylcarbamate);2-hydroxybenzoic acid;hydroxy N-methylmethanimidate;methanamine;methylcarbamic acid is C/N=C/OO.CC(C)(C)OC(=O)C(N)CCC(N)=S.CC(C)(C)OC(=O)c1ccccc1O.CC(C)(C)OC(=O)c1ccccc1OC(=O)NC(CCC(N)=S)C(=O)OC(C)(C)C.CC(C)(C)OC(=O)c1ccccc1OC(=O)O.CC(C)(C)OC(=O)c1ccccc1OC(=O)O.CN.CN.CNC(=O)NC(CCC(N)=S)C(=O)O.CNC(=O)NC(CCC(N)=S)C(=O)OC(C)(C)C.CNC(=O)O.CNC(=O)OC(C)(C)C.CNC(=O)OC(C)(C)C.Cc1ccccc1C(=O)OC(C)(C)C.Cc1ccccc1C(=O)OC(C)(C)C.NC(=S)CCC(NC(=O)Oc1ccccc1C(=O)O)C(=O)O.O=C(O)c1ccccc1O.
What is the InChIKey of 2-[(4-amino-1-carboxy-4-sulfanylidenebutyl)carbamoyloxy]benzoic acid;5-amino-2-(methylcarbamoylamino)-5-sulfanylidenepentanoic acid;tert-butyl 5-amino-2-(methylcarbamoylamino)-5-sulfanylidenepentanoate;tert-butyl 2-[[5-amino-1-[(2-methylpropan-2-yl)oxy]-1-oxo-5-sulfanylidenepentan-2-yl]carbamoyloxy]benzoate;bis(tert-butyl 2-carboxyoxybenzoate);tert-butyl 2,5-diamino-5-sulfanylidenepentanoate;tert-butyl 2-hydroxybenzoate;bis(tert-butyl 2-methylbenzoate);bis(tert-butyl N-methylcarbamate);2-hydroxybenzoic acid;hydroxy N-methylmethanimidate;methanamine;methylcarbamic acid?
The InChIKey is NLTKADSJSLYVBD-ZXVGSVDJSA-N. The full InChI is InChI=1S/C21H30N2O6S.C13H14N2O6S.2C12H14O5.2C12H16O2.C11H21N3O3S.C11H14O3.C9H18N2O2S.C7H13N3O3S.C7H6O3.2C6H13NO2.2C2H5NO2.2CH5N/c1-20(2,3)28-17(24)13-9-7-8-10-15(13)27-19(26)23-14(11-12-16(22)30)18(25)29-21(4,5)6;14-10(22)6-5-8(12(18)19)15-13(20)21-9-4-2-1-3-7(9)11(16)17;2*1-12(2,3)17-10(13)8-6-4-5-7-9(8)16-11(14)15;2*1-9-7-5-6-8-10(9)11(13)14-12(2,3)4;1-11(2,3)17-9(15)7(5-6-8(12)18)14-10(16)13-4;1-11(2,3)14-10(13)8-6-4-5-7-9(8)12;1-9(2,3)13-8(12)6(10)4-5-7(11)14;1-9-7(13)10-4(6(11)12)2-3-5(8)14;8-6-4-2-1-3-5(6)7(9)10;2*1-6(2,3)9-5(8)7-4;1-3-2-5-4;1-3-2(4)5;2*1-2/h7-10,14H,11-12H2,1-6H3,(H2,22,30)(H,23,26);1-4,8H,5-6H2,(H2,14,22)(H,15,20)(H,16,17)(H,18,19);2*4-7H,1-3H3,(H,14,15);2*5-8H,1-4H3;7H,5-6H2,1-4H3,(H2,12,18)(H2,13,14,16);4-7,12H,1-3H3;6H,4-5,10H2,1-3H3,(H2,11,14);4H,2-3H2,1H3,(H2,8,14)(H,11,12)(H2,9,10,13);1-4,8H,(H,9,10);2*1-4H3,(H,7,8);2,4H,1H3;3H,1H3,(H,4,5);2*2H2,1H3/b;;;;;;;;;;;;;3-2+;;;.
What are the key properties of 2-[(4-amino-1-carboxy-4-sulfanylidenebutyl)carbamoyloxy]benzoic acid;5-amino-2-(methylcarbamoylamino)-5-sulfanylidenepentanoic acid;tert-butyl 5-amino-2-(methylcarbamoylamino)-5-sulfanylidenepentanoate;tert-butyl 2-[[5-amino-1-[(2-methylpropan-2-yl)oxy]-1-oxo-5-sulfanylidenepentan-2-yl]carbamoyloxy]benzoate;bis(tert-butyl 2-carboxyoxybenzoate);tert-butyl 2,5-diamino-5-sulfanylidenepentanoate;tert-butyl 2-hydroxybenzoate;bis(tert-butyl 2-methylbenzoate);bis(tert-butyl N-methylcarbamate);2-hydroxybenzoic acid;hydroxy N-methylmethanimidate;methanamine;methylcarbamic acid?
2-[(4-amino-1-carboxy-4-sulfanylidenebutyl)carbamoyloxy]benzoic acid;5-amino-2-(methylcarbamoylamino)-5-sulfanylidenepentanoic acid;tert-butyl 5-amino-2-(methylcarbamoylamino)-5-sulfanylidenepentanoate;tert-butyl 2-[[5-amino-1-[(2-methylpropan-2-yl)oxy]-1-oxo-5-sulfanylidenepentan-2-yl]carbamoyloxy]benzoate;bis(tert-butyl 2-carboxyoxybenzoate);tert-butyl 2,5-diamino-5-sulfanylidenepentanoate;tert-butyl 2-hydroxybenzoate;bis(tert-butyl 2-methylbenzoate);bis(tert-butyl N-methylcarbamate);2-hydroxybenzoic acid;hydroxy N-methylmethanimidate;methanamine;methylcarbamic acid has a molecular weight of 3145.78 g/mol, XLogP of 21.53, 37 rotatable bonds, 27 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-1-carboxy-4-sulfanylidenebutyl)carbamoyloxy]benzoic acid;5-amino-2-(methylcarbamoylamino)-5-sulfanylidenepentanoic acid;tert-butyl 5-amino-2-(methylcarbamoylamino)-5-sulfanylidenepentanoate;tert-butyl 2-[[5-amino-1-[(2-methylpropan-2-yl)oxy]-1-oxo-5-sulfanylidenepentan-2-yl]carbamoyloxy]benzoate;bis(tert-butyl 2-carboxyoxybenzoate);tert-butyl 2,5-diamino-5-sulfanylidenepentanoate;tert-butyl 2-hydroxybenzoate;bis(tert-butyl 2-methylbenzoate);bis(tert-butyl N-methylcarbamate);2-hydroxybenzoic acid;hydroxy N-methylmethanimidate;methanamine;methylcarbamic acid is sourced from PubChem (CID 159817174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).