2-aminoacetic acid;(2S)-2-amino-5-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-[4-[4-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxy-3,5-diiodophenoxy]-3,5-diiodophenyl]propanoyl]oxybutanoyl]oxy-5-oxopentanoic acid;(2S)-2-amino-3-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]oxypropanoic acid;(2S)-6-amino-2-(hydroxyamino)hexanoic acid;(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;(2S,3S)-2-amino-3-methylpentanoic acid;(2S)-2-amino-4-methylsulfanylbutanoic acid;(2S)-2-amino-3-phenylpropanoic acid;[(2R)-2-amino-3-sulfanylpropanoyl] (2S)-2-amino-4-methylpentanoate;(2S)-4-[(2S)-2,6-diaminohexanoyl]oxypyrrolidine-2-carboxylic acid;(2S)-2,5-diamino-5-oxopentanoic acid;(2S)-pyrrolidine-2-carboxylic acid

C111H172I4N24O40S2 — CID 173317822

IUPAC2-aminoacetic acid;(2S)-2-amino-5-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-[4-[4-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxy-3,5-diiodophenoxy]-3,5-diiodophenyl]propanoyl]oxybutanoyl]oxy-5-oxopentanoic acid;(2S)-2-amino-3-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]oxypropanoic acid;(2S)-6-amino-2-(hydroxyamino)hexanoic acid;(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;(2S,3S)-2-amino-3-methylpentanoic acid;(2S)-2-amino-4-methylsulfanylbutanoic acid;(2S)-2-amino-3-phenylpropanoic acid;[(2R)-2-amino-3-sulfanylpropanoyl] (2S)-2-amino-4-methylpentanoate;(2S)-4-[(2S)-2,6-diaminohexanoyl]oxypyrrolidine-2-carboxylic acid;(2S)-2,5-diamino-5-oxopentanoic acid;(2S)-pyrrolidine-2-carboxylic acid
SMILESCC(C)C[C@H](N)C(=O)OC(=O)[C@@H](N)CS.CC[C@H](C)[C@H](N)C(=O)O.CSCC[C@H](N)C(=O)O.C[C@@H](OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(OC(=O)[C@@H](N)Cc3ccc(O)cc3)c(I)c2)c(I)c1)[C@H](N)C(=O)OC(=O)CC[C@H](N)C(=O)O.NC(=O)CC[C@H](N)C(=O)O.NCC(=O)O.NCCCC[C@H](N)C(=O)OC1CN[C@H](C(=O)O)C1.NCCCC[C@H](NO)C(=O)O.N[C@@H](COC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O.N[C@@H](Cc1cnc[nH]1)C(=O)O.O=C(O)[C@@H]1CCCN1
InChIInChI=1S/C33H34I4N4O11.C14H17N3O4.C11H21N3O4.C9H18N2O3S.C9H11NO2.C6H9N3O2.C6H14N2O3.C6H13NO2.C5H10N2O3.C5H11NO2S.C5H9NO2.C2H5NO2/c1-14(27(41)33(48)51-26(43)7-6-23(38)30(44)45)49-31(46)25(40)11-16-8-19(34)28(20(35)9-16)50-18-12-21(36)29(22(37)13-18)52-32(47)24(39)10-15-2-4-17(42)5-3-15;15-10(14(20)21-7-11(16)13(18)19)5-8-6-17-12-4-2-1-3-9(8)12;12-4-2-1-3-8(13)11(17)18-7-5-9(10(15)16)14-6-7;1-5(2)3-6(10)8(12)14-9(13)7(11)4-15;10-8(9(11)12)6-7-4-2-1-3-5-7;7-5(6(10)11)1-4-2-8-3-9-4;7-4-2-1-3-5(8-11)6(9)10;1-3-4(2)5(7)6(8)9;6-3(5(9)10)1-2-4(7)8;1-9-3-2-4(6)5(7)8;7-5(8)4-2-1-3-6-4;3-1-2(4)5/h2-5,8-9,12-14,23-25,27,42H,6-7,10-11,38-41H2,1H3,(H,44,45);1-4,6,10-11,17H,5,7,15-16H2,(H,18,19);7-9,14H,1-6,12-13H2,(H,15,16);5-7,15H,3-4,10-11H2,1-2H3;1-5,8H,6,10H2,(H,11,12);2-3,5H,1,7H2,(H,8,9)(H,10,11);5,8,11H,1-4,7H2,(H,9,10);4-5H,3,7H2,1-2H3,(H,8,9);3H,1-2,6H2,(H2,7,8)(H,9,10);4H,2-3,6H2,1H3,(H,7,8);4,6H,1-3H2,(H,7,8);1,3H2,(H,4,5)/t14-,23+,24+,25+,27+;10-,11-;7?,8-,9-;6-,7-;8-;2*5-;4-,5-;3-;2*4-;/m10000000000./s1
InChIKeyQLLNFZMSGBXSLV-MHVHQKGZSA-N
MW3054.47 g/mol
LogP-0.39
Rot. Bonds59

About 2-aminoacetic acid;(2S)-2-amino-5-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-[4-[4-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxy-3,5-diiodophenoxy]-3,5-diiodophenyl]propanoyl]oxybutanoyl]oxy-5-oxopentanoic acid;(2S)-2-amino-3-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]oxypropanoic acid;(2S)-6-amino-2-(hydroxyamino)hexanoic acid;(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;(2S,3S)-2-amino-3-methylpentanoic acid;(2S)-2-amino-4-methylsulfanylbutanoic acid;(2S)-2-amino-3-phenylpropanoic acid;[(2R)-2-amino-3-sulfanylpropanoyl] (2S)-2-amino-4-methylpentanoate;(2S)-4-[(2S)-2,6-diaminohexanoyl]oxypyrrolidine-2-carboxylic acid;(2S)-2,5-diamino-5-oxopentanoic acid;(2S)-pyrrolidine-2-carboxylic acid

2-aminoacetic acid;(2S)-2-amino-5-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-[4-[4-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxy-3,5-diiodophenoxy]-3,5-diiodophenyl]propanoyl]oxybutanoyl]oxy-5-oxopentanoic acid;(2S)-2-amino-3-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]oxypropanoic acid;(2S)-6-amino-2-(hydroxyamino)hexanoic acid;(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;(2S,3S)-2-amino-3-methylpentanoic acid;(2S)-2-amino-4-methylsulfanylbutanoic acid;(2S)-2-amino-3-phenylpropanoic acid;[(2R)-2-amino-3-sulfanylpropanoyl] (2S)-2-amino-4-methylpentanoate;(2S)-4-[(2S)-2,6-diaminohexanoyl]oxypyrrolidine-2-carboxylic acid;(2S)-2,5-diamino-5-oxopentanoic acid;(2S)-pyrrolidine-2-carboxylic acid (PubChem CID 173317822) has the molecular formula C111H172I4N24O40S2 and a molecular weight of 3054.47 g/mol. Its IUPAC name is 2-aminoacetic acid;(2S)-2-amino-5-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-[4-[4-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxy-3,5-diiodophenoxy]-3,5-diiodophenyl]propanoyl]oxybutanoyl]oxy-5-oxopentanoic acid;(2S)-2-amino-3-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]oxypropanoic acid;(2S)-6-amino-2-(hydroxyamino)hexanoic acid;(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;(2S,3S)-2-amino-3-methylpentanoic acid;(2S)-2-amino-4-methylsulfanylbutanoic acid;(2S)-2-amino-3-phenylpropanoic acid;[(2R)-2-amino-3-sulfanylpropanoyl] (2S)-2-amino-4-methylpentanoate;(2S)-4-[(2S)-2,6-diaminohexanoyl]oxypyrrolidine-2-carboxylic acid;(2S)-2,5-diamino-5-oxopentanoic acid;(2S)-pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-aminoacetic acid;(2S)-2-amino-5-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-[4-[4-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxy-3,5-diiodophenoxy]-3,5-diiodophenyl]propanoyl]oxybutanoyl]oxy-5-oxopentanoic acid;(2S)-2-amino-3-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]oxypropanoic acid;(2S)-6-amino-2-(hydroxyamino)hexanoic acid;(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;(2S,3S)-2-amino-3-methylpentanoic acid;(2S)-2-amino-4-methylsulfanylbutanoic acid;(2S)-2-amino-3-phenylpropanoic acid;[(2R)-2-amino-3-sulfanylpropanoyl] (2S)-2-amino-4-methylpentanoate;(2S)-4-[(2S)-2,6-diaminohexanoyl]oxypyrrolidine-2-carboxylic acid;(2S)-2,5-diamino-5-oxopentanoic acid;(2S)-pyrrolidine-2-carboxylic acid
PubChem CID173317822
Molecular FormulaC111H172I4N24O40S2
Molecular Weight3054.47 g/mol
Exact Mass3052.78
IUPAC Name2-aminoacetic acid;(2S)-2-amino-5-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-[4-[4-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxy-3,5-diiodophenoxy]-3,5-diiodophenyl]propanoyl]oxybutanoyl]oxy-5-oxopentanoic acid;(2S)-2-amino-3-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]oxypropanoic acid;(2S)-6-amino-2-(hydroxyamino)hexanoic acid;(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;(2S,3S)-2-amino-3-methylpentanoic acid;(2S)-2-amino-4-methylsulfanylbutanoic acid;(2S)-2-amino-3-phenylpropanoic acid;[(2R)-2-amino-3-sulfanylpropanoyl] (2S)-2-amino-4-methylpentanoate;(2S)-4-[(2S)-2,6-diaminohexanoyl]oxypyrrolidine-2-carboxylic acid;(2S)-2,5-diamino-5-oxopentanoic acid;(2S)-pyrrolidine-2-carboxylic acid
SMILESCC(C)C[C@H](N)C(=O)OC(=O)[C@@H](N)CS.CC[C@H](C)[C@H](N)C(=O)O.CSCC[C@H](N)C(=O)O.C[C@@H](OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(OC(=O)[C@@H](N)Cc3ccc(O)cc3)c(I)c2)c(I)c1)[C@H](N)C(=O)OC(=O)CC[C@H](N)C(=O)O.NC(=O)CC[C@H](N)C(=O)O.NCC(=O)O.NCCCC[C@H](N)C(=O)OC1CN[C@H](C(=O)O)C1.NCCCC[C@H](NO)C(=O)O.N[C@@H](COC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O.N[C@@H](Cc1cnc[nH]1)C(=O)O.O=C(O)[C@@H]1CCCN1
InChIInChI=1S/C33H34I4N4O11.C14H17N3O4.C11H21N3O4.C9H18N2O3S.C9H11NO2.C6H9N3O2.C6H14N2O3.C6H13NO2.C5H10N2O3.C5H11NO2S.C5H9NO2.C2H5NO2/c1-14(27(41)33(48)51-26(43)7-6-23(38)30(44)45)49-31(46)25(40)11-16-8-19(34)28(20(35)9-16)50-18-12-21(36)29(22(37)13-18)52-32(47)24(39)10-15-2-4-17(42)5-3-15;15-10(14(20)21-7-11(16)13(18)19)5-8-6-17-12-4-2-1-3-9(8)12;12-4-2-1-3-8(13)11(17)18-7-5-9(10(15)16)14-6-7;1-5(2)3-6(10)8(12)14-9(13)7(11)4-15;10-8(9(11)12)6-7-4-2-1-3-5-7;7-5(6(10)11)1-4-2-8-3-9-4;7-4-2-1-3-5(8-11)6(9)10;1-3-4(2)5(7)6(8)9;6-3(5(9)10)1-2-4(7)8;1-9-3-2-4(6)5(7)8;7-5(8)4-2-1-3-6-4;3-1-2(4)5/h2-5,8-9,12-14,23-25,27,42H,6-7,10-11,38-41H2,1H3,(H,44,45);1-4,6,10-11,17H,5,7,15-16H2,(H,18,19);7-9,14H,1-6,12-13H2,(H,15,16);5-7,15H,3-4,10-11H2,1-2H3;1-5,8H,6,10H2,(H,11,12);2-3,5H,1,7H2,(H,8,9)(H,10,11);5,8,11H,1-4,7H2,(H,9,10);4-5H,3,7H2,1-2H3,(H,8,9);3H,1-2,6H2,(H2,7,8)(H,9,10);4H,2-3,6H2,1H3,(H,7,8);4,6H,1-3H2,(H,7,8);1,3H2,(H,4,5)/t14-,23+,24+,25+,27+;10-,11-;7?,8-,9-;6-,7-;8-;2*5-;4-,5-;3-;2*4-;/m10000000000./s1
InChIKeyQLLNFZMSGBXSLV-MHVHQKGZSA-N
XLogP-0.39
TPSA1217.92 Ų
H-Bond Donors37
H-Bond Acceptors52
Rotatable Bonds59
Heavy Atoms181
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003054.47
LogP ≤ 5-0.39
H-Bond Donors ≤ 537
H-Bond Acceptors ≤ 1052

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-aminoacetic acid;(2S)-2-amino-5-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-[4-[4-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxy-3,5-diiodophenoxy]-3,5-diiodophenyl]propanoyl]oxybutanoyl]oxy-5-oxopentanoic acid;(2S)-2-amino-3-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]oxypropanoic acid;(2S)-6-amino-2-(hydroxyamino)hexanoic acid;(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;(2S,3S)-2-amino-3-methylpentanoic acid;(2S)-2-amino-4-methylsulfanylbutanoic acid;(2S)-2-amino-3-phenylpropanoic acid;[(2R)-2-amino-3-sulfanylpropanoyl] (2S)-2-amino-4-methylpentanoate;(2S)-4-[(2S)-2,6-diaminohexanoyl]oxypyrrolidine-2-carboxylic acid;(2S)-2,5-diamino-5-oxopentanoic acid;(2S)-pyrrolidine-2-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

2-aminoacetic acid;(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid;(2S)-2-amino-3-methylbutanoic acid;(2S)-2-amino-4-methylpentanoic acid;(2S,3S)-2-amino-3-methylpentanoic acid;(2S)-2-amino-4-methylsulfanylbutanoic acid;(2S)-2-amino-3-phenylpropanoic acid;(2S)-2-aminopropanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid;(2S)-2,6-diaminohexanoic acid;(2S)-2,4-diamino-4-oxobutanoic acid;(2S)-2,5-diamino-5-oxopentanoic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 174420454
[(2R)-2-amino-3-(2-aminoacetyl)oxypropanoyl] (2S)-2-amino-4-methylsulfanylbutanoate;(2S,3R)-2-amino-3-[(2S)-2-amino-3-phenylpropanoyl]oxybutanoic acid;(2S)-4-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]oxypyrrolidine-2-carboxylic acid;(2S)-2-amino-3-(4-methoxyphenyl)propanoic acid;(2S)-2-amino-3-methylbutanoic acid;(2S)-2-amino-4-methylpentanoic acid;(2S,3S)-2-amino-3-methylpentanoic acid;[(2S)-2-amino-4-methylsulfinylbutanoyl] (2R)-1,3-thiazolidine-2-carboxylate;(2S)-2-amino-4-methylsulfonylbutanoic acid;(2S)-2-amino-3-phenylmethoxypropanoic acid;(2S)-2-aminopropanoic acid;2-anilinoacetic acid;(2S)-2,5-diamino-5-oxopentanoic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 173289038
(4S)-4-amino-2,6-dimethylheptan-3-one;(4S,5R)-4-amino-2,5-dimethylheptan-3-one;(4S)-4-amino-2,5-dimethylhexan-3-one;(4S,5S)-4-amino-5-hydroxy-2-methylhexan-3-one;(2S)-2-amino-1-hydroxy-4-methylpentan-3-one;(2S)-2-amino-1-(4-hydroxyphenyl)-4-methylpentan-3-one;(2S)-2-amino-1-(1H-imidazol-5-yl)-4-methylpentan-3-one;(2S)-2-amino-1-(1H-indol-3-yl)-4-methylpentan-3-one;1-amino-3-methylbutan-2-one;(4S)-4-amino-2-methyl-6-methylsulfanylhexan-3-one;(4S)-4-amino-6-methyl-5-oxoheptanamide;(4S)-4-amino-6-methyl-5-oxoheptanoic acid;2-[(4S)-4-amino-6-methyl-5-oxoheptyl]guanidine;(3S)-3-amino-5-methyl-4-oxohexanoic acid;(2S)-2-amino-4-methylpentan-3-one;(2S)-2-amino-4-methyl-1-phenylpentan-3-one;(2R)-2-amino-4-methyl-1-sulfanylpentan-3-one;(3S)-3-amino-4-oxopentanamide;(4S)-4,8-diamino-2-methyloctan-3-one;2-methyl-1-[(2S)-pyrrolidin-2-yl]propan-1-one
CID 159565650
2-aminoacetic acid;(2S,3R)-2-amino-3-[(2S)-2-amino-3-methylbutanoyl]oxybutanoic acid;(2S,3R)-2-amino-3-[(2S)-2-amino-3-phenylpropanoyl]oxybutanoic acid;(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl] (2S)-2-amino-5-(diaminomethylideneamino)pentanoate;(2S)-2-amino-3-methylbutanoic acid;tris((2S)-2-amino-4-methylpentanoic acid);bis((2S,3S)-2-amino-3-methylpentanoic acid);tetrakis((2S)-2-aminopentanedioic acid);(2S)-2-amino-3-phenylpropanoic acid;bis((2R)-2-amino-3-sulfanylpropanoic acid);(2S)-2,6-diaminohexanoic acid;(2S)-2,4-diamino-4-oxobutanoic acid;bis((2S)-2,5-diamino-5-oxopentanoic acid)
CID 173344267
calcium;(2S)-2-[[4-amino-5-[(2S)-2,6-diaminohexanoyl]oxy-1-(diaminomethylideneamino)-5-oxopentyl]amino]-4-methylpentanoic acid;(2S,3R)-2-amino-3-hydroxybutanoic acid;(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid;(2S,3S)-2-amino-3-methylpentanoic acid;(2S)-2-amino-4-methylsulfanylbutanoic acid;(2S)-2-amino-3-phenylpropanoic acid;hydride
CID 174319892
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid;(2S)-2-amino-3-phenylpropanoic acid;(2S)-2,6-diaminohexanoic acid
CID 69258316
(2S)-2-amino-3-hydroxypropanoic acid;(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;(2S)-2-amino-3-methylbutanoic acid;(2S)-2-amino-4-methylpentanoic acid;bis((2S)-2-amino-3-phenylpropanoic acid);(2S)-2,6-diaminohexanoic acid;(2S)-2,4-diamino-4-oxobutanoic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 173034560
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;(2S)-2-amino-3-hydroxypropanoic acid;(2S)-2-amino-3-methylbutanoic acid;(2S)-2-amino-4-methylsulfanylbutanoic acid;(2S)-3-(1H-indol-3-yl)-2-(pyridin-4-ylmethylamino)propanoic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 158311210
2-aminoacetic acid;(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid;(2S,3S)-2-amino-3-methylpentanoic acid;2-amino-4-methylsulfanylbutanoic acid;2,5-diaminopentanoic acid;hydrochloride
CID 162229340
tris(2-aminoacetic acid);(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;(2S)-2-amino-3-hydroxypropanoic acid;(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;(2S)-2-aminopropanoic acid;bis((2R)-2-amino-3-sulfanylpropanoic acid);bis((2S)-2,4-diamino-4-oxobutanoic acid);tris((2S)-pyrrolidine-2-carboxylic acid)
CID 173216805
(4S)-4-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-sulfanylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-carboxypropanoyl]amino]hexanoyl]amino]-5-[[(2R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-3-carboxy-1-[[(2S,3R)-1-[[(2R)-1-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoic acid
CID 77282162
(2S,3R)-2-amino-3-hydroxybutanoic acid;(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid;(2S)-2,6-diaminohexanoic acid;bis(N-phenylaniline);(2S)-pyrrolidine-2-carboxylic acid
CID 173286897

Frequently Asked Questions

What is the IUPAC name of 2-aminoacetic acid;(2S)-2-amino-5-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-[4-[4-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxy-3,5-diiodophenoxy]-3,5-diiodophenyl]propanoyl]oxybutanoyl]oxy-5-oxopentanoic acid;(2S)-2-amino-3-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]oxypropanoic acid;(2S)-6-amino-2-(hydroxyamino)hexanoic acid;(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;(2S,3S)-2-amino-3-methylpentanoic acid;(2S)-2-amino-4-methylsulfanylbutanoic acid;(2S)-2-amino-3-phenylpropanoic acid;[(2R)-2-amino-3-sulfanylpropanoyl] (2S)-2-amino-4-methylpentanoate;(2S)-4-[(2S)-2,6-diaminohexanoyl]oxypyrrolidine-2-carboxylic acid;(2S)-2,5-diamino-5-oxopentanoic acid;(2S)-pyrrolidine-2-carboxylic acid?
The IUPAC name of 2-aminoacetic acid;(2S)-2-amino-5-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-[4-[4-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxy-3,5-diiodophenoxy]-3,5-diiodophenyl]propanoyl]oxybutanoyl]oxy-5-oxopentanoic acid;(2S)-2-amino-3-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]oxypropanoic acid;(2S)-6-amino-2-(hydroxyamino)hexanoic acid;(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;(2S,3S)-2-amino-3-methylpentanoic acid;(2S)-2-amino-4-methylsulfanylbutanoic acid;(2S)-2-amino-3-phenylpropanoic acid;[(2R)-2-amino-3-sulfanylpropanoyl] (2S)-2-amino-4-methylpentanoate;(2S)-4-[(2S)-2,6-diaminohexanoyl]oxypyrrolidine-2-carboxylic acid;(2S)-2,5-diamino-5-oxopentanoic acid;(2S)-pyrrolidine-2-carboxylic acid (CID 173317822) is 2-aminoacetic acid;(2S)-2-amino-5-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-[4-[4-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxy-3,5-diiodophenoxy]-3,5-diiodophenyl]propanoyl]oxybutanoyl]oxy-5-oxopentanoic acid;(2S)-2-amino-3-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]oxypropanoic acid;(2S)-6-amino-2-(hydroxyamino)hexanoic acid;(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;(2S,3S)-2-amino-3-methylpentanoic acid;(2S)-2-amino-4-methylsulfanylbutanoic acid;(2S)-2-amino-3-phenylpropanoic acid;[(2R)-2-amino-3-sulfanylpropanoyl] (2S)-2-amino-4-methylpentanoate;(2S)-4-[(2S)-2,6-diaminohexanoyl]oxypyrrolidine-2-carboxylic acid;(2S)-2,5-diamino-5-oxopentanoic acid;(2S)-pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 2-aminoacetic acid;(2S)-2-amino-5-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-[4-[4-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxy-3,5-diiodophenoxy]-3,5-diiodophenyl]propanoyl]oxybutanoyl]oxy-5-oxopentanoic acid;(2S)-2-amino-3-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]oxypropanoic acid;(2S)-6-amino-2-(hydroxyamino)hexanoic acid;(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;(2S,3S)-2-amino-3-methylpentanoic acid;(2S)-2-amino-4-methylsulfanylbutanoic acid;(2S)-2-amino-3-phenylpropanoic acid;[(2R)-2-amino-3-sulfanylpropanoyl] (2S)-2-amino-4-methylpentanoate;(2S)-4-[(2S)-2,6-diaminohexanoyl]oxypyrrolidine-2-carboxylic acid;(2S)-2,5-diamino-5-oxopentanoic acid;(2S)-pyrrolidine-2-carboxylic acid?
The canonical SMILES for 2-aminoacetic acid;(2S)-2-amino-5-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-[4-[4-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxy-3,5-diiodophenoxy]-3,5-diiodophenyl]propanoyl]oxybutanoyl]oxy-5-oxopentanoic acid;(2S)-2-amino-3-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]oxypropanoic acid;(2S)-6-amino-2-(hydroxyamino)hexanoic acid;(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;(2S,3S)-2-amino-3-methylpentanoic acid;(2S)-2-amino-4-methylsulfanylbutanoic acid;(2S)-2-amino-3-phenylpropanoic acid;[(2R)-2-amino-3-sulfanylpropanoyl] (2S)-2-amino-4-methylpentanoate;(2S)-4-[(2S)-2,6-diaminohexanoyl]oxypyrrolidine-2-carboxylic acid;(2S)-2,5-diamino-5-oxopentanoic acid;(2S)-pyrrolidine-2-carboxylic acid is CC(C)C[C@H](N)C(=O)OC(=O)[C@@H](N)CS.CC[C@H](C)[C@H](N)C(=O)O.CSCC[C@H](N)C(=O)O.C[C@@H](OC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(OC(=O)[C@@H](N)Cc3ccc(O)cc3)c(I)c2)c(I)c1)[C@H](N)C(=O)OC(=O)CC[C@H](N)C(=O)O.NC(=O)CC[C@H](N)C(=O)O.NCC(=O)O.NCCCC[C@H](N)C(=O)OC1CN[C@H](C(=O)O)C1.NCCCC[C@H](NO)C(=O)O.N[C@@H](COC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O.N[C@@H](Cc1cnc[nH]1)C(=O)O.O=C(O)[C@@H]1CCCN1.
What is the InChIKey of 2-aminoacetic acid;(2S)-2-amino-5-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-[4-[4-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxy-3,5-diiodophenoxy]-3,5-diiodophenyl]propanoyl]oxybutanoyl]oxy-5-oxopentanoic acid;(2S)-2-amino-3-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]oxypropanoic acid;(2S)-6-amino-2-(hydroxyamino)hexanoic acid;(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;(2S,3S)-2-amino-3-methylpentanoic acid;(2S)-2-amino-4-methylsulfanylbutanoic acid;(2S)-2-amino-3-phenylpropanoic acid;[(2R)-2-amino-3-sulfanylpropanoyl] (2S)-2-amino-4-methylpentanoate;(2S)-4-[(2S)-2,6-diaminohexanoyl]oxypyrrolidine-2-carboxylic acid;(2S)-2,5-diamino-5-oxopentanoic acid;(2S)-pyrrolidine-2-carboxylic acid?
The InChIKey is QLLNFZMSGBXSLV-MHVHQKGZSA-N. The full InChI is InChI=1S/C33H34I4N4O11.C14H17N3O4.C11H21N3O4.C9H18N2O3S.C9H11NO2.C6H9N3O2.C6H14N2O3.C6H13NO2.C5H10N2O3.C5H11NO2S.C5H9NO2.C2H5NO2/c1-14(27(41)33(48)51-26(43)7-6-23(38)30(44)45)49-31(46)25(40)11-16-8-19(34)28(20(35)9-16)50-18-12-21(36)29(22(37)13-18)52-32(47)24(39)10-15-2-4-17(42)5-3-15;15-10(14(20)21-7-11(16)13(18)19)5-8-6-17-12-4-2-1-3-9(8)12;12-4-2-1-3-8(13)11(17)18-7-5-9(10(15)16)14-6-7;1-5(2)3-6(10)8(12)14-9(13)7(11)4-15;10-8(9(11)12)6-7-4-2-1-3-5-7;7-5(6(10)11)1-4-2-8-3-9-4;7-4-2-1-3-5(8-11)6(9)10;1-3-4(2)5(7)6(8)9;6-3(5(9)10)1-2-4(7)8;1-9-3-2-4(6)5(7)8;7-5(8)4-2-1-3-6-4;3-1-2(4)5/h2-5,8-9,12-14,23-25,27,42H,6-7,10-11,38-41H2,1H3,(H,44,45);1-4,6,10-11,17H,5,7,15-16H2,(H,18,19);7-9,14H,1-6,12-13H2,(H,15,16);5-7,15H,3-4,10-11H2,1-2H3;1-5,8H,6,10H2,(H,11,12);2-3,5H,1,7H2,(H,8,9)(H,10,11);5,8,11H,1-4,7H2,(H,9,10);4-5H,3,7H2,1-2H3,(H,8,9);3H,1-2,6H2,(H2,7,8)(H,9,10);4H,2-3,6H2,1H3,(H,7,8);4,6H,1-3H2,(H,7,8);1,3H2,(H,4,5)/t14-,23+,24+,25+,27+;10-,11-;7?,8-,9-;6-,7-;8-;2*5-;4-,5-;3-;2*4-;/m10000000000./s1.
What are the key properties of 2-aminoacetic acid;(2S)-2-amino-5-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-[4-[4-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxy-3,5-diiodophenoxy]-3,5-diiodophenyl]propanoyl]oxybutanoyl]oxy-5-oxopentanoic acid;(2S)-2-amino-3-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]oxypropanoic acid;(2S)-6-amino-2-(hydroxyamino)hexanoic acid;(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;(2S,3S)-2-amino-3-methylpentanoic acid;(2S)-2-amino-4-methylsulfanylbutanoic acid;(2S)-2-amino-3-phenylpropanoic acid;[(2R)-2-amino-3-sulfanylpropanoyl] (2S)-2-amino-4-methylpentanoate;(2S)-4-[(2S)-2,6-diaminohexanoyl]oxypyrrolidine-2-carboxylic acid;(2S)-2,5-diamino-5-oxopentanoic acid;(2S)-pyrrolidine-2-carboxylic acid?
2-aminoacetic acid;(2S)-2-amino-5-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-[4-[4-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxy-3,5-diiodophenoxy]-3,5-diiodophenyl]propanoyl]oxybutanoyl]oxy-5-oxopentanoic acid;(2S)-2-amino-3-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]oxypropanoic acid;(2S)-6-amino-2-(hydroxyamino)hexanoic acid;(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;(2S,3S)-2-amino-3-methylpentanoic acid;(2S)-2-amino-4-methylsulfanylbutanoic acid;(2S)-2-amino-3-phenylpropanoic acid;[(2R)-2-amino-3-sulfanylpropanoyl] (2S)-2-amino-4-methylpentanoate;(2S)-4-[(2S)-2,6-diaminohexanoyl]oxypyrrolidine-2-carboxylic acid;(2S)-2,5-diamino-5-oxopentanoic acid;(2S)-pyrrolidine-2-carboxylic acid has a molecular weight of 3054.47 g/mol, XLogP of -0.39, 59 rotatable bonds, 37 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoacetic acid;(2S)-2-amino-5-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-[4-[4-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxy-3,5-diiodophenoxy]-3,5-diiodophenyl]propanoyl]oxybutanoyl]oxy-5-oxopentanoic acid;(2S)-2-amino-3-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]oxypropanoic acid;(2S)-6-amino-2-(hydroxyamino)hexanoic acid;(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;(2S,3S)-2-amino-3-methylpentanoic acid;(2S)-2-amino-4-methylsulfanylbutanoic acid;(2S)-2-amino-3-phenylpropanoic acid;[(2R)-2-amino-3-sulfanylpropanoyl] (2S)-2-amino-4-methylpentanoate;(2S)-4-[(2S)-2,6-diaminohexanoyl]oxypyrrolidine-2-carboxylic acid;(2S)-2,5-diamino-5-oxopentanoic acid;(2S)-pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 173317822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).