(3R)-3-amino-4-[3-[bis(2-chloroethyl)amino]-N-methylanilino]-4-oxobutanoic acid;N-[(2R)-1-(3-amino-N-methylanilino)-4-[(2-methylpropan-2-yl)oxy]-1,4-dioxobutan-2-yl]-methylboronamidic acid;N-[(2R)-1-[3-[bis(2-chloroethyl)amino]-N-methylanilino]-4-[(2-methylpropan-2-yl)oxy]-1,4-dioxobutan-2-yl]-methylboronamidic acid;tert-butyl 2-hydroxyacetate;2-chloroacetaldehyde;(2R)-2-[[hydroxy(methyl)boranyl]amino]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid;methyl-N-[(2R)-1-(N-methyl-3-nitroanilino)-4-[(2-methylpropan-2-yl)oxy]-1,4-dioxobutan-2-yl]boronamidic acid;N-methyl-3-nitroaniline

C91H144B4Cl5N15O28 — CID 159013921

IUPAC(3R)-3-amino-4-[3-[bis(2-chloroethyl)amino]-N-methylanilino]-4-oxobutanoic acid;N-[(2R)-1-(3-amino-N-methylanilino)-4-[(2-methylpropan-2-yl)oxy]-1,4-dioxobutan-2-yl]-methylboronamidic acid;N-[(2R)-1-[3-[bis(2-chloroethyl)amino]-N-methylanilino]-4-[(2-methylpropan-2-yl)oxy]-1,4-dioxobutan-2-yl]-methylboronamidic acid;tert-butyl 2-hydroxyacetate;2-chloroacetaldehyde;(2R)-2-[[hydroxy(methyl)boranyl]amino]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid;methyl-N-[(2R)-1-(N-methyl-3-nitroanilino)-4-[(2-methylpropan-2-yl)oxy]-1,4-dioxobutan-2-yl]boronamidic acid;N-methyl-3-nitroaniline
SMILESCB(O)N[C@H](CC(=O)OC(C)(C)C)C(=O)N(C)c1cccc(N(CCCl)CCCl)c1.CB(O)N[C@H](CC(=O)OC(C)(C)C)C(=O)N(C)c1cccc(N)c1.CB(O)N[C@H](CC(=O)OC(C)(C)C)C(=O)N(C)c1cccc([N+](=O)[O-])c1.CB(O)N[C@H](CC(=O)OC(C)(C)C)C(=O)O.CC(C)(C)OC(=O)CO.CN(C(=O)[C@H](N)CC(=O)O)c1cccc(N(CCCl)CCCl)c1.CNc1cccc([N+](=O)[O-])c1.O=CCCl
InChIInChI=1S/C20H32BCl2N3O4.C16H24BN3O6.C16H26BN3O4.C15H21Cl2N3O3.C9H18BNO5.C7H8N2O2.C6H12O3.C2H3ClO/c1-20(2,3)30-18(27)14-17(24-21(4)29)19(28)25(5)15-7-6-8-16(13-15)26(11-9-22)12-10-23;1-16(2,3)26-14(21)10-13(18-17(4)23)15(22)19(5)11-7-6-8-12(9-11)20(24)25;1-16(2,3)24-14(21)10-13(19-17(4)23)15(22)20(5)12-8-6-7-11(18)9-12;1-19(15(23)13(18)10-14(21)22)11-3-2-4-12(9-11)20(7-5-16)8-6-17;1-9(2,3)16-7(12)5-6(8(13)14)11-10(4)15;1-8-6-3-2-4-7(5-6)9(10)11;1-6(2,3)9-5(8)4-7;3-1-2-4/h6-8,13,17,24,29H,9-12,14H2,1-5H3;6-9,13,18,23H,10H2,1-5H3;6-9,13,19,23H,10,18H2,1-5H3;2-4,9,13H,5-8,10,18H2,1H3,(H,21,22);6,11,15H,5H2,1-4H3,(H,13,14);2-5,8H,1H3;7H,4H2,1-3H3;2H,1H2/t17-;3*13-;6-;;;/m11111.../s1
InChIKeyJSVPRRGVHVUNHW-JQQDKQKKSA-N
MW2116.74 g/mol
LogP9.11
Rot. Bonds42

About (3R)-3-amino-4-[3-[bis(2-chloroethyl)amino]-N-methylanilino]-4-oxobutanoic acid;N-[(2R)-1-(3-amino-N-methylanilino)-4-[(2-methylpropan-2-yl)oxy]-1,4-dioxobutan-2-yl]-methylboronamidic acid;N-[(2R)-1-[3-[bis(2-chloroethyl)amino]-N-methylanilino]-4-[(2-methylpropan-2-yl)oxy]-1,4-dioxobutan-2-yl]-methylboronamidic acid;tert-butyl 2-hydroxyacetate;2-chloroacetaldehyde;(2R)-2-[[hydroxy(methyl)boranyl]amino]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid;methyl-N-[(2R)-1-(N-methyl-3-nitroanilino)-4-[(2-methylpropan-2-yl)oxy]-1,4-dioxobutan-2-yl]boronamidic acid;N-methyl-3-nitroaniline

(3R)-3-amino-4-[3-[bis(2-chloroethyl)amino]-N-methylanilino]-4-oxobutanoic acid;N-[(2R)-1-(3-amino-N-methylanilino)-4-[(2-methylpropan-2-yl)oxy]-1,4-dioxobutan-2-yl]-methylboronamidic acid;N-[(2R)-1-[3-[bis(2-chloroethyl)amino]-N-methylanilino]-4-[(2-methylpropan-2-yl)oxy]-1,4-dioxobutan-2-yl]-methylboronamidic acid;tert-butyl 2-hydroxyacetate;2-chloroacetaldehyde;(2R)-2-[[hydroxy(methyl)boranyl]amino]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid;methyl-N-[(2R)-1-(N-methyl-3-nitroanilino)-4-[(2-methylpropan-2-yl)oxy]-1,4-dioxobutan-2-yl]boronamidic acid;N-methyl-3-nitroaniline (PubChem CID 159013921) has the molecular formula C91H144B4Cl5N15O28 and a molecular weight of 2116.74 g/mol. Its IUPAC name is (3R)-3-amino-4-[3-[bis(2-chloroethyl)amino]-N-methylanilino]-4-oxobutanoic acid;N-[(2R)-1-(3-amino-N-methylanilino)-4-[(2-methylpropan-2-yl)oxy]-1,4-dioxobutan-2-yl]-methylboronamidic acid;N-[(2R)-1-[3-[bis(2-chloroethyl)amino]-N-methylanilino]-4-[(2-methylpropan-2-yl)oxy]-1,4-dioxobutan-2-yl]-methylboronamidic acid;tert-butyl 2-hydroxyacetate;2-chloroacetaldehyde;(2R)-2-[[hydroxy(methyl)boranyl]amino]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid;methyl-N-[(2R)-1-(N-methyl-3-nitroanilino)-4-[(2-methylpropan-2-yl)oxy]-1,4-dioxobutan-2-yl]boronamidic acid;N-methyl-3-nitroaniline.

Molecular Properties

Compound Name(3R)-3-amino-4-[3-[bis(2-chloroethyl)amino]-N-methylanilino]-4-oxobutanoic acid;N-[(2R)-1-(3-amino-N-methylanilino)-4-[(2-methylpropan-2-yl)oxy]-1,4-dioxobutan-2-yl]-methylboronamidic acid;N-[(2R)-1-[3-[bis(2-chloroethyl)amino]-N-methylanilino]-4-[(2-methylpropan-2-yl)oxy]-1,4-dioxobutan-2-yl]-methylboronamidic acid;tert-butyl 2-hydroxyacetate;2-chloroacetaldehyde;(2R)-2-[[hydroxy(methyl)boranyl]amino]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid;methyl-N-[(2R)-1-(N-methyl-3-nitroanilino)-4-[(2-methylpropan-2-yl)oxy]-1,4-dioxobutan-2-yl]boronamidic acid;N-methyl-3-nitroaniline
PubChem CID159013921
Molecular FormulaC91H144B4Cl5N15O28
Molecular Weight2116.74 g/mol
Exact Mass2113.91
IUPAC Name(3R)-3-amino-4-[3-[bis(2-chloroethyl)amino]-N-methylanilino]-4-oxobutanoic acid;N-[(2R)-1-(3-amino-N-methylanilino)-4-[(2-methylpropan-2-yl)oxy]-1,4-dioxobutan-2-yl]-methylboronamidic acid;N-[(2R)-1-[3-[bis(2-chloroethyl)amino]-N-methylanilino]-4-[(2-methylpropan-2-yl)oxy]-1,4-dioxobutan-2-yl]-methylboronamidic acid;tert-butyl 2-hydroxyacetate;2-chloroacetaldehyde;(2R)-2-[[hydroxy(methyl)boranyl]amino]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid;methyl-N-[(2R)-1-(N-methyl-3-nitroanilino)-4-[(2-methylpropan-2-yl)oxy]-1,4-dioxobutan-2-yl]boronamidic acid;N-methyl-3-nitroaniline
SMILESCB(O)N[C@H](CC(=O)OC(C)(C)C)C(=O)N(C)c1cccc(N(CCCl)CCCl)c1.CB(O)N[C@H](CC(=O)OC(C)(C)C)C(=O)N(C)c1cccc(N)c1.CB(O)N[C@H](CC(=O)OC(C)(C)C)C(=O)N(C)c1cccc([N+](=O)[O-])c1.CB(O)N[C@H](CC(=O)OC(C)(C)C)C(=O)O.CC(C)(C)OC(=O)CO.CN(C(=O)[C@H](N)CC(=O)O)c1cccc(N(CCCl)CCCl)c1.CNc1cccc([N+](=O)[O-])c1.O=CCCl
InChIInChI=1S/C20H32BCl2N3O4.C16H24BN3O6.C16H26BN3O4.C15H21Cl2N3O3.C9H18BNO5.C7H8N2O2.C6H12O3.C2H3ClO/c1-20(2,3)30-18(27)14-17(24-21(4)29)19(28)25(5)15-7-6-8-16(13-15)26(11-9-22)12-10-23;1-16(2,3)26-14(21)10-13(18-17(4)23)15(22)19(5)11-7-6-8-12(9-11)20(24)25;1-16(2,3)24-14(21)10-13(19-17(4)23)15(22)20(5)12-8-6-7-11(18)9-12;1-19(15(23)13(18)10-14(21)22)11-3-2-4-12(9-11)20(7-5-16)8-6-17;1-9(2,3)16-7(12)5-6(8(13)14)11-10(4)15;1-8-6-3-2-4-7(5-6)9(10)11;1-6(2,3)9-5(8)4-7;3-1-2-4/h6-8,13,17,24,29H,9-12,14H2,1-5H3;6-9,13,18,23H,10H2,1-5H3;6-9,13,19,23H,10,18H2,1-5H3;2-4,9,13H,5-8,10,18H2,1H3,(H,21,22);6,11,15H,5H2,1-4H3,(H,13,14);2-5,8H,1H3;7H,4H2,1-3H3;2H,1H2/t17-;3*13-;6-;;;/m11111.../s1
InChIKeyJSVPRRGVHVUNHW-JQQDKQKKSA-N
XLogP9.11
TPSA610.51 Ų
H-Bond Donors14
H-Bond Acceptors35
Rotatable Bonds42
Heavy Atoms143
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002116.74
LogP ≤ 59.11
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze (3R)-3-amino-4-[3-[bis(2-chloroethyl)amino]-N-methylanilino]-4-oxobutanoic acid;N-[(2R)-1-(3-amino-N-methylanilino)-4-[(2-methylpropan-2-yl)oxy]-1,4-dioxobutan-2-yl]-methylboronamidic acid;N-[(2R)-1-[3-[bis(2-chloroethyl)amino]-N-methylanilino]-4-[(2-methylpropan-2-yl)oxy]-1,4-dioxobutan-2-yl]-methylboronamidic acid;tert-butyl 2-hydroxyacetate;2-chloroacetaldehyde;(2R)-2-[[hydroxy(methyl)boranyl]amino]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid;methyl-N-[(2R)-1-(N-methyl-3-nitroanilino)-4-[(2-methylpropan-2-yl)oxy]-1,4-dioxobutan-2-yl]boronamidic acid;N-methyl-3-nitroaniline with MolForge

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Related Compounds

CID 158337690
CID 158337690
(3S)-3-amino-4-[5-(3-chloropropyl)-2-methoxyphenyl]butanoic acid;N-[(2S)-1-(5-amino-2-methoxyphenyl)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutan-2-yl]-methylboronamidic acid;2-chloroacetaldehyde;N-[(2S)-1-[5-(3-chloropropyl)-2-methoxyphenyl]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutan-2-yl]-methylboronamidic acid
CID 159296459
methyl 2-(N-(2-methoxy-2-oxoethyl)-3-nitroanilino)acetate
CID 19389141
4-amino-3-[3-[bis(2-chloroethyl)amino]phenyl]-3-methylbutanoic acid;4-(3-aminophenyl)-4-methylpyrrolidin-2-one;4-[3-[bis(2-chloroethyl)amino]phenyl]-4-methylpyrrolidin-2-one;2-chloroacetaldehyde;methyl 3-methyl-4-nitro-3-(3-nitrophenyl)butanoate;methyl 3-(3-nitrophenyl)but-2-enoate;1-(3-nitrophenyl)ethanone
CID 158784538
ethane;methanol;N-methyl-3-nitroaniline
CID 144908950
chloromethyl (3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(3-nitrophenyl)propanoate
CID 165440771
N-methyl-2-(3-nitroanilino)-N-phenylacetamide
CID 9298118
(3R)-4-[5-[bis(2-chloroethyl)amino]-2-methylanilino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoic acid
CID 126510982
2-[3-(dimethylamino)propylamino]-4-(3-nitroanilino)-4-oxobutanoic acid
CID 4860884
CID 140770870
CID 140770870
tert-butyl 2,2-dimethyl-3-[4-(3-nitrophenyl)phenyl]propanoate
CID 156801421
(2R)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(3-nitrophenyl)propanoic acid
CID 25232734

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-4-[3-[bis(2-chloroethyl)amino]-N-methylanilino]-4-oxobutanoic acid;N-[(2R)-1-(3-amino-N-methylanilino)-4-[(2-methylpropan-2-yl)oxy]-1,4-dioxobutan-2-yl]-methylboronamidic acid;N-[(2R)-1-[3-[bis(2-chloroethyl)amino]-N-methylanilino]-4-[(2-methylpropan-2-yl)oxy]-1,4-dioxobutan-2-yl]-methylboronamidic acid;tert-butyl 2-hydroxyacetate;2-chloroacetaldehyde;(2R)-2-[[hydroxy(methyl)boranyl]amino]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid;methyl-N-[(2R)-1-(N-methyl-3-nitroanilino)-4-[(2-methylpropan-2-yl)oxy]-1,4-dioxobutan-2-yl]boronamidic acid;N-methyl-3-nitroaniline?
The IUPAC name of (3R)-3-amino-4-[3-[bis(2-chloroethyl)amino]-N-methylanilino]-4-oxobutanoic acid;N-[(2R)-1-(3-amino-N-methylanilino)-4-[(2-methylpropan-2-yl)oxy]-1,4-dioxobutan-2-yl]-methylboronamidic acid;N-[(2R)-1-[3-[bis(2-chloroethyl)amino]-N-methylanilino]-4-[(2-methylpropan-2-yl)oxy]-1,4-dioxobutan-2-yl]-methylboronamidic acid;tert-butyl 2-hydroxyacetate;2-chloroacetaldehyde;(2R)-2-[[hydroxy(methyl)boranyl]amino]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid;methyl-N-[(2R)-1-(N-methyl-3-nitroanilino)-4-[(2-methylpropan-2-yl)oxy]-1,4-dioxobutan-2-yl]boronamidic acid;N-methyl-3-nitroaniline (CID 159013921) is (3R)-3-amino-4-[3-[bis(2-chloroethyl)amino]-N-methylanilino]-4-oxobutanoic acid;N-[(2R)-1-(3-amino-N-methylanilino)-4-[(2-methylpropan-2-yl)oxy]-1,4-dioxobutan-2-yl]-methylboronamidic acid;N-[(2R)-1-[3-[bis(2-chloroethyl)amino]-N-methylanilino]-4-[(2-methylpropan-2-yl)oxy]-1,4-dioxobutan-2-yl]-methylboronamidic acid;tert-butyl 2-hydroxyacetate;2-chloroacetaldehyde;(2R)-2-[[hydroxy(methyl)boranyl]amino]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid;methyl-N-[(2R)-1-(N-methyl-3-nitroanilino)-4-[(2-methylpropan-2-yl)oxy]-1,4-dioxobutan-2-yl]boronamidic acid;N-methyl-3-nitroaniline.
What is the SMILES notation for (3R)-3-amino-4-[3-[bis(2-chloroethyl)amino]-N-methylanilino]-4-oxobutanoic acid;N-[(2R)-1-(3-amino-N-methylanilino)-4-[(2-methylpropan-2-yl)oxy]-1,4-dioxobutan-2-yl]-methylboronamidic acid;N-[(2R)-1-[3-[bis(2-chloroethyl)amino]-N-methylanilino]-4-[(2-methylpropan-2-yl)oxy]-1,4-dioxobutan-2-yl]-methylboronamidic acid;tert-butyl 2-hydroxyacetate;2-chloroacetaldehyde;(2R)-2-[[hydroxy(methyl)boranyl]amino]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid;methyl-N-[(2R)-1-(N-methyl-3-nitroanilino)-4-[(2-methylpropan-2-yl)oxy]-1,4-dioxobutan-2-yl]boronamidic acid;N-methyl-3-nitroaniline?
The canonical SMILES for (3R)-3-amino-4-[3-[bis(2-chloroethyl)amino]-N-methylanilino]-4-oxobutanoic acid;N-[(2R)-1-(3-amino-N-methylanilino)-4-[(2-methylpropan-2-yl)oxy]-1,4-dioxobutan-2-yl]-methylboronamidic acid;N-[(2R)-1-[3-[bis(2-chloroethyl)amino]-N-methylanilino]-4-[(2-methylpropan-2-yl)oxy]-1,4-dioxobutan-2-yl]-methylboronamidic acid;tert-butyl 2-hydroxyacetate;2-chloroacetaldehyde;(2R)-2-[[hydroxy(methyl)boranyl]amino]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid;methyl-N-[(2R)-1-(N-methyl-3-nitroanilino)-4-[(2-methylpropan-2-yl)oxy]-1,4-dioxobutan-2-yl]boronamidic acid;N-methyl-3-nitroaniline is CB(O)N[C@H](CC(=O)OC(C)(C)C)C(=O)N(C)c1cccc(N(CCCl)CCCl)c1.CB(O)N[C@H](CC(=O)OC(C)(C)C)C(=O)N(C)c1cccc(N)c1.CB(O)N[C@H](CC(=O)OC(C)(C)C)C(=O)N(C)c1cccc([N+](=O)[O-])c1.CB(O)N[C@H](CC(=O)OC(C)(C)C)C(=O)O.CC(C)(C)OC(=O)CO.CN(C(=O)[C@H](N)CC(=O)O)c1cccc(N(CCCl)CCCl)c1.CNc1cccc([N+](=O)[O-])c1.O=CCCl.
What is the InChIKey of (3R)-3-amino-4-[3-[bis(2-chloroethyl)amino]-N-methylanilino]-4-oxobutanoic acid;N-[(2R)-1-(3-amino-N-methylanilino)-4-[(2-methylpropan-2-yl)oxy]-1,4-dioxobutan-2-yl]-methylboronamidic acid;N-[(2R)-1-[3-[bis(2-chloroethyl)amino]-N-methylanilino]-4-[(2-methylpropan-2-yl)oxy]-1,4-dioxobutan-2-yl]-methylboronamidic acid;tert-butyl 2-hydroxyacetate;2-chloroacetaldehyde;(2R)-2-[[hydroxy(methyl)boranyl]amino]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid;methyl-N-[(2R)-1-(N-methyl-3-nitroanilino)-4-[(2-methylpropan-2-yl)oxy]-1,4-dioxobutan-2-yl]boronamidic acid;N-methyl-3-nitroaniline?
The InChIKey is JSVPRRGVHVUNHW-JQQDKQKKSA-N. The full InChI is InChI=1S/C20H32BCl2N3O4.C16H24BN3O6.C16H26BN3O4.C15H21Cl2N3O3.C9H18BNO5.C7H8N2O2.C6H12O3.C2H3ClO/c1-20(2,3)30-18(27)14-17(24-21(4)29)19(28)25(5)15-7-6-8-16(13-15)26(11-9-22)12-10-23;1-16(2,3)26-14(21)10-13(18-17(4)23)15(22)19(5)11-7-6-8-12(9-11)20(24)25;1-16(2,3)24-14(21)10-13(19-17(4)23)15(22)20(5)12-8-6-7-11(18)9-12;1-19(15(23)13(18)10-14(21)22)11-3-2-4-12(9-11)20(7-5-16)8-6-17;1-9(2,3)16-7(12)5-6(8(13)14)11-10(4)15;1-8-6-3-2-4-7(5-6)9(10)11;1-6(2,3)9-5(8)4-7;3-1-2-4/h6-8,13,17,24,29H,9-12,14H2,1-5H3;6-9,13,18,23H,10H2,1-5H3;6-9,13,19,23H,10,18H2,1-5H3;2-4,9,13H,5-8,10,18H2,1H3,(H,21,22);6,11,15H,5H2,1-4H3,(H,13,14);2-5,8H,1H3;7H,4H2,1-3H3;2H,1H2/t17-;3*13-;6-;;;/m11111.../s1.
What are the key properties of (3R)-3-amino-4-[3-[bis(2-chloroethyl)amino]-N-methylanilino]-4-oxobutanoic acid;N-[(2R)-1-(3-amino-N-methylanilino)-4-[(2-methylpropan-2-yl)oxy]-1,4-dioxobutan-2-yl]-methylboronamidic acid;N-[(2R)-1-[3-[bis(2-chloroethyl)amino]-N-methylanilino]-4-[(2-methylpropan-2-yl)oxy]-1,4-dioxobutan-2-yl]-methylboronamidic acid;tert-butyl 2-hydroxyacetate;2-chloroacetaldehyde;(2R)-2-[[hydroxy(methyl)boranyl]amino]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid;methyl-N-[(2R)-1-(N-methyl-3-nitroanilino)-4-[(2-methylpropan-2-yl)oxy]-1,4-dioxobutan-2-yl]boronamidic acid;N-methyl-3-nitroaniline?
(3R)-3-amino-4-[3-[bis(2-chloroethyl)amino]-N-methylanilino]-4-oxobutanoic acid;N-[(2R)-1-(3-amino-N-methylanilino)-4-[(2-methylpropan-2-yl)oxy]-1,4-dioxobutan-2-yl]-methylboronamidic acid;N-[(2R)-1-[3-[bis(2-chloroethyl)amino]-N-methylanilino]-4-[(2-methylpropan-2-yl)oxy]-1,4-dioxobutan-2-yl]-methylboronamidic acid;tert-butyl 2-hydroxyacetate;2-chloroacetaldehyde;(2R)-2-[[hydroxy(methyl)boranyl]amino]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid;methyl-N-[(2R)-1-(N-methyl-3-nitroanilino)-4-[(2-methylpropan-2-yl)oxy]-1,4-dioxobutan-2-yl]boronamidic acid;N-methyl-3-nitroaniline has a molecular weight of 2116.74 g/mol, XLogP of 9.11, 42 rotatable bonds, 14 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-4-[3-[bis(2-chloroethyl)amino]-N-methylanilino]-4-oxobutanoic acid;N-[(2R)-1-(3-amino-N-methylanilino)-4-[(2-methylpropan-2-yl)oxy]-1,4-dioxobutan-2-yl]-methylboronamidic acid;N-[(2R)-1-[3-[bis(2-chloroethyl)amino]-N-methylanilino]-4-[(2-methylpropan-2-yl)oxy]-1,4-dioxobutan-2-yl]-methylboronamidic acid;tert-butyl 2-hydroxyacetate;2-chloroacetaldehyde;(2R)-2-[[hydroxy(methyl)boranyl]amino]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid;methyl-N-[(2R)-1-(N-methyl-3-nitroanilino)-4-[(2-methylpropan-2-yl)oxy]-1,4-dioxobutan-2-yl]boronamidic acid;N-methyl-3-nitroaniline is sourced from PubChem (CID 159013921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).