[(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

C111H181N21O42S4 — CID 173289038

About [(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

[(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 (PubChem CID 173289038) has the molecular formula C111H181N21O42S4 and a molecular weight of 2610.04 g/mol. Its IUPAC name is [(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.

Molecular Properties

• Compound Name: [(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
• PubChem CID: 173289038
• Molecular Formula: C111H181N21O42S4
• Molecular Weight: 2610.04 g/mol
• Exact Mass: 2608.16
• IUPAC Name: [(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
• SMILES: CC(C)C[C@H](N)C(=O)O.CC(C)[C@H](N)C(=O)O.CC[C@H](C)[C@H](N)C(=O)O.COc1ccc(C[C@H](N)C(=O)O)cc1.CS(=O)(=O)CC[C@H](N)C(=O)O.CS(=O)CC[C@H](N)C(=O)OC(=O)[C@@H]1NCCS1.CSCC[C@H](N)C(=O)OC(=O)[C@H](N)COC(=O)CN.C[C@@H](OC(=O)[C@@H](N)Cc1ccccc1)[C@H](N)C(=O)O.C[C@H](N)C(=O)O.NC(=O)CC[C@H](N)C(=O)O.N[C@@H](COCc1ccccc1)C(=O)O.N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC1CN[C@H](C(=O)O)C1.O=C(O)CNc1ccccc1.O=C(O)[C@@H]1CCCN1
• InChI: InChI=1S/C16H19N3O4.C13H18N2O4.C10H19N3O5S.2C10H13NO3.C9H16N2O4S2.C8H9NO2.2C6H13NO2.C5H10N2O3.C5H11NO4S.C5H9NO2.C5H11NO2.C3H7NO2/c17-12(5-9-7-18-13-4-2-1-3-11(9)13)16(22)23-10-6-14(15(20)21)19-8-10;1-8(11(15)12(16)17)19-13(18)10(14)7-9-5-3-2-4-6-9;1-19-3-2-6(12)9(15)18-10(16)7(13)5-17-8(14)4-11;1-14-8-4-2-7(3-5-8)6-9(11)10(12)13;11-9(10(12)13)7-14-6-8-4-2-1-3-5-8;1-17(14)5-2-6(10)8(12)15-9(13)7-11-3-4-16-7;10-8(11)6-9-7-4-2-1-3-5-7;1-4(2)3-5(7)6(8)9;1-3-4(2)5(7)6(8)9;6-3(5(9)10)1-2-4(7)8;1-11(9,10)3-2-4(6)5(7)8;7-5(8)4-2-1-3-6-4;1-3(2)4(6)5(7)8;1-2(4)3(5)6/h1-4,7,10,12,14,18-19H,5-6,8,17H2,(H,20,21);2-6,8,10-11H,7,14-15H2,1H3,(H,16,17);6-7H,2-5,11-13H2,1H3;2-5,9H,6,11H2,1H3,(H,12,13);1-5,9H,6-7,11H2,(H,12,13);6-7,11H,2-5,10H2,1H3;1-5,9H,6H2,(H,10,11);2*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);3-4H,6H2,1-2H3,(H,7,8);2H,4H2,1H3,(H,5,6)/t10?,12-,14-;8-,10+,11+;6-,7+;2*9-;6-,7+,17?;;5-;4-,5-;3-;3*4-;2-/m010000.0000000/s1
• InChIKey: WZEAESHMNYADKX-ZJACAJHGSA-N
• XLogP: -2.79
• TPSA: 1180.21 Ų
• H-Bond Donors: 33
• H-Bond Acceptors: 51
• Rotatable Bonds: 54
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2610.04
LogP ≤ 5	-2.79
H-Bond Donors ≤ 5	33
H-Bond Acceptors ≤ 10	51

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(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?

The IUPAC name of [(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) is [(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.

What is the SMILES notation for [(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?

The canonical SMILES for [(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 is CC(C)C[C@H](N)C(=O)O.CC(C)[C@H](N)C(=O)O.CC[C@H](C)[C@H](N)C(=O)O.COc1ccc(C[C@H](N)C(=O)O)cc1.CS(=O)(=O)CC[C@H](N)C(=O)O.CS(=O)CC[C@H](N)C(=O)OC(=O)[C@@H]1NCCS1.CSCC[C@H](N)C(=O)OC(=O)[C@H](N)COC(=O)CN.C[C@@H](OC(=O)[C@@H](N)Cc1ccccc1)[C@H](N)C(=O)O.C[C@H](N)C(=O)O.NC(=O)CC[C@H](N)C(=O)O.N[C@@H](COCc1ccccc1)C(=O)O.N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC1CN[C@H](C(=O)O)C1.O=C(O)CNc1ccccc1.O=C(O)[C@@H]1CCCN1.

What is the InChIKey of [(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?

The InChIKey is WZEAESHMNYADKX-ZJACAJHGSA-N. The full InChI is InChI=1S/C16H19N3O4.C13H18N2O4.C10H19N3O5S.2C10H13NO3.C9H16N2O4S2.C8H9NO2.2C6H13NO2.C5H10N2O3.C5H11NO4S.C5H9NO2.C5H11NO2.C3H7NO2/c17-12(5-9-7-18-13-4-2-1-3-11(9)13)16(22)23-10-6-14(15(20)21)19-8-10;1-8(11(15)12(16)17)19-13(18)10(14)7-9-5-3-2-4-6-9;1-19-3-2-6(12)9(15)18-10(16)7(13)5-17-8(14)4-11;1-14-8-4-2-7(3-5-8)6-9(11)10(12)13;11-9(10(12)13)7-14-6-8-4-2-1-3-5-8;1-17(14)5-2-6(10)8(12)15-9(13)7-11-3-4-16-7;10-8(11)6-9-7-4-2-1-3-5-7;1-4(2)3-5(7)6(8)9;1-3-4(2)5(7)6(8)9;6-3(5(9)10)1-2-4(7)8;1-11(9,10)3-2-4(6)5(7)8;7-5(8)4-2-1-3-6-4;1-3(2)4(6)5(7)8;1-2(4)3(5)6/h1-4,7,10,12,14,18-19H,5-6,8,17H2,(H,20,21);2-6,8,10-11H,7,14-15H2,1H3,(H,16,17);6-7H,2-5,11-13H2,1H3;2-5,9H,6,11H2,1H3,(H,12,13);1-5,9H,6-7,11H2,(H,12,13);6-7,11H,2-5,10H2,1H3;1-5,9H,6H2,(H,10,11);2*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);3-4H,6H2,1-2H3,(H,7,8);2H,4H2,1H3,(H,5,6)/t10?,12-,14-;8-,10+,11+;6-,7+;2*9-;6-,7+,17?;;5-;4-,5-;3-;3*4-;2-/m010000.0000000/s1.

What are the key properties of [(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?

[(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 has a molecular weight of 2610.04 g/mol, XLogP of -2.79, 54 rotatable bonds, 33 hydrogen bond donors, and 51 hydrogen bond acceptors.

Where does this data come from?

All data for [(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 is sourced from PubChem (CID 173289038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).