(2S)-2-amino-5-[[(2S)-1-[(1S)-1-carboxyethoxy]-3,3-dimethyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid;(2S)-2-amino-5-[[(2S)-1-[(1S)-1-carboxyethoxy]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid;(2S)-2-amino-5-[[(2S)-1-[(1S)-1-carboxyethoxy]-1-oxobutan-2-yl]amino]-5-oxopentanoic acid;(2S)-2-amino-5-[[(2S)-1-(carboxymethoxy)-3,3-dimethyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid;(2S)-2-amino-5-[[(2S)-1-(carboxymethoxy)-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid;(2S)-2-amino-5-[[(2S)-1-(carboxymethoxy)-1-oxobutan-2-yl]amino]-5-oxopentanoic acid

C75H126N12O42 — CID 162056438

About (2S)-2-amino-5-[[(2S)-1-[(1S)-1-carboxyethoxy]-3,3-dimethyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid;(2S)-2-amino-5-[[(2S)-1-[(1S)-1-carboxyethoxy]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid;(2S)-2-amino-5-[[(2S)-1-[(1S)-1-carboxyethoxy]-1-oxobutan-2-yl]amino]-5-oxopentanoic acid;(2S)-2-amino-5-[[(2S)-1-(carboxymethoxy)-3,3-dimethyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid;(2S)-2-amino-5-[[(2S)-1-(carboxymethoxy)-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid;(2S)-2-amino-5-[[(2S)-1-(carboxymethoxy)-1-oxobutan-2-yl]amino]-5-oxopentanoic acid

(2S)-2-amino-5-[[(2S)-1-[(1S)-1-carboxyethoxy]-3,3-dimethyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid;(2S)-2-amino-5-[[(2S)-1-[(1S)-1-carboxyethoxy]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid;(2S)-2-amino-5-[[(2S)-1-[(1S)-1-carboxyethoxy]-1-oxobutan-2-yl]amino]-5-oxopentanoic acid;(2S)-2-amino-5-[[(2S)-1-(carboxymethoxy)-3,3-dimethyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid;(2S)-2-amino-5-[[(2S)-1-(carboxymethoxy)-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid;(2S)-2-amino-5-[[(2S)-1-(carboxymethoxy)-1-oxobutan-2-yl]amino]-5-oxopentanoic acid (PubChem CID 162056438) has the molecular formula C75H126N12O42 and a molecular weight of 1867.87 g/mol. Its IUPAC name is (2S)-2-amino-5-[[(2S)-1-[(1S)-1-carboxyethoxy]-3,3-dimethyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid;(2S)-2-amino-5-[[(2S)-1-[(1S)-1-carboxyethoxy]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid;(2S)-2-amino-5-[[(2S)-1-[(1S)-1-carboxyethoxy]-1-oxobutan-2-yl]amino]-5-oxopentanoic acid;(2S)-2-amino-5-[[(2S)-1-(carboxymethoxy)-3,3-dimethyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid;(2S)-2-amino-5-[[(2S)-1-(carboxymethoxy)-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid;(2S)-2-amino-5-[[(2S)-1-(carboxymethoxy)-1-oxobutan-2-yl]amino]-5-oxopentanoic acid.

Molecular Properties

• Compound Name: (2S)-2-amino-5-[[(2S)-1-[(1S)-1-carboxyethoxy]-3,3-dimethyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid;(2S)-2-amino-5-[[(2S)-1-[(1S)-1-carboxyethoxy]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid;(2S)-2-amino-5-[[(2S)-1-[(1S)-1-carboxyethoxy]-1-oxobutan-2-yl]amino]-5-oxopentanoic acid;(2S)-2-amino-5-[[(2S)-1-(carboxymethoxy)-3,3-dimethyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid;(2S)-2-amino-5-[[(2S)-1-(carboxymethoxy)-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid;(2S)-2-amino-5-[[(2S)-1-(carboxymethoxy)-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
• PubChem CID: 162056438
• Molecular Formula: C75H126N12O42
• Molecular Weight: 1867.87 g/mol
• Exact Mass: 1866.81
• IUPAC Name: (2S)-2-amino-5-[[(2S)-1-[(1S)-1-carboxyethoxy]-3,3-dimethyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid;(2S)-2-amino-5-[[(2S)-1-[(1S)-1-carboxyethoxy]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid;(2S)-2-amino-5-[[(2S)-1-[(1S)-1-carboxyethoxy]-1-oxobutan-2-yl]amino]-5-oxopentanoic acid;(2S)-2-amino-5-[[(2S)-1-(carboxymethoxy)-3,3-dimethyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid;(2S)-2-amino-5-[[(2S)-1-(carboxymethoxy)-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid;(2S)-2-amino-5-[[(2S)-1-(carboxymethoxy)-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
• SMILES: CC(C)(C)[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)OCC(=O)O.CC(C)[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)OCC(=O)O.CC(C)[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)O[C@@H](C)C(=O)O.CC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)OCC(=O)O.CC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)O[C@@H](C)C(=O)O.C[C@H](OC(=O)[C@@H](NC(=O)CC[C@H](N)C(=O)O)C(C)(C)C)C(=O)O
• InChI: InChI=1S/C14H24N2O7.2C13H22N2O7.2C12H20N2O7.C11H18N2O7/c1-7(11(18)19)23-13(22)10(14(2,3)4)16-9(17)6-5-8(15)12(20)21;1-13(2,3)10(12(21)22-6-9(17)18)15-8(16)5-4-7(14)11(19)20;1-6(2)10(13(21)22-7(3)11(17)18)15-9(16)5-4-8(14)12(19)20;1-6(2)10(12(20)21-5-9(16)17)14-8(15)4-3-7(13)11(18)19;1-3-8(12(20)21-6(2)10(16)17)14-9(15)5-4-7(13)11(18)19;1-2-7(11(19)20-5-9(15)16)13-8(14)4-3-6(12)10(17)18/h7-8,10H,5-6,15H2,1-4H3,(H,16,17)(H,18,19)(H,20,21);7,10H,4-6,14H2,1-3H3,(H,15,16)(H,17,18)(H,19,20);6-8,10H,4-5,14H2,1-3H3,(H,15,16)(H,17,18)(H,19,20);6-7,10H,3-5,13H2,1-2H3,(H,14,15)(H,16,17)(H,18,19);6-8H,3-5,13H2,1-2H3,(H,14,15)(H,16,17)(H,18,19);6-7H,2-5,12H2,1H3,(H,13,14)(H,15,16)(H,17,18)/t7-,8-,10+;7-,10+;7-,8-,10-;7-,10-;6-,7-,8-;6-,7-/m000000/s1
• InChIKey: YZGBZUFMSLLFPZ-AKFPOJTJSA-N
• XLogP: -4.86
• TPSA: 936.12 Ų
• H-Bond Donors: 24
• H-Bond Acceptors: 36
• Rotatable Bonds: 52
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1867.87
LogP ≤ 5	-4.86
H-Bond Donors ≤ 5	24
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5-[[(2S)-1-[(1S)-1-carboxyethoxy]-3,3-dimethyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid;(2S)-2-amino-5-[[(2S)-1-[(1S)-1-carboxyethoxy]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid;(2S)-2-amino-5-[[(2S)-1-[(1S)-1-carboxyethoxy]-1-oxobutan-2-yl]amino]-5-oxopentanoic acid;(2S)-2-amino-5-[[(2S)-1-(carboxymethoxy)-3,3-dimethyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid;(2S)-2-amino-5-[[(2S)-1-(carboxymethoxy)-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid;(2S)-2-amino-5-[[(2S)-1-(carboxymethoxy)-1-oxobutan-2-yl]amino]-5-oxopentanoic acid?

The IUPAC name of (2S)-2-amino-5-[[(2S)-1-[(1S)-1-carboxyethoxy]-3,3-dimethyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid;(2S)-2-amino-5-[[(2S)-1-[(1S)-1-carboxyethoxy]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid;(2S)-2-amino-5-[[(2S)-1-[(1S)-1-carboxyethoxy]-1-oxobutan-2-yl]amino]-5-oxopentanoic acid;(2S)-2-amino-5-[[(2S)-1-(carboxymethoxy)-3,3-dimethyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid;(2S)-2-amino-5-[[(2S)-1-(carboxymethoxy)-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid;(2S)-2-amino-5-[[(2S)-1-(carboxymethoxy)-1-oxobutan-2-yl]amino]-5-oxopentanoic acid (CID 162056438) is (2S)-2-amino-5-[[(2S)-1-[(1S)-1-carboxyethoxy]-3,3-dimethyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid;(2S)-2-amino-5-[[(2S)-1-[(1S)-1-carboxyethoxy]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid;(2S)-2-amino-5-[[(2S)-1-[(1S)-1-carboxyethoxy]-1-oxobutan-2-yl]amino]-5-oxopentanoic acid;(2S)-2-amino-5-[[(2S)-1-(carboxymethoxy)-3,3-dimethyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid;(2S)-2-amino-5-[[(2S)-1-(carboxymethoxy)-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid;(2S)-2-amino-5-[[(2S)-1-(carboxymethoxy)-1-oxobutan-2-yl]amino]-5-oxopentanoic acid.

What is the SMILES notation for (2S)-2-amino-5-[[(2S)-1-[(1S)-1-carboxyethoxy]-3,3-dimethyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid;(2S)-2-amino-5-[[(2S)-1-[(1S)-1-carboxyethoxy]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid;(2S)-2-amino-5-[[(2S)-1-[(1S)-1-carboxyethoxy]-1-oxobutan-2-yl]amino]-5-oxopentanoic acid;(2S)-2-amino-5-[[(2S)-1-(carboxymethoxy)-3,3-dimethyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid;(2S)-2-amino-5-[[(2S)-1-(carboxymethoxy)-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid;(2S)-2-amino-5-[[(2S)-1-(carboxymethoxy)-1-oxobutan-2-yl]amino]-5-oxopentanoic acid?

The canonical SMILES for (2S)-2-amino-5-[[(2S)-1-[(1S)-1-carboxyethoxy]-3,3-dimethyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid;(2S)-2-amino-5-[[(2S)-1-[(1S)-1-carboxyethoxy]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid;(2S)-2-amino-5-[[(2S)-1-[(1S)-1-carboxyethoxy]-1-oxobutan-2-yl]amino]-5-oxopentanoic acid;(2S)-2-amino-5-[[(2S)-1-(carboxymethoxy)-3,3-dimethyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid;(2S)-2-amino-5-[[(2S)-1-(carboxymethoxy)-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid;(2S)-2-amino-5-[[(2S)-1-(carboxymethoxy)-1-oxobutan-2-yl]amino]-5-oxopentanoic acid is CC(C)(C)[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)OCC(=O)O.CC(C)[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)OCC(=O)O.CC(C)[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)O[C@@H](C)C(=O)O.CC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)OCC(=O)O.CC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)O[C@@H](C)C(=O)O.C[C@H](OC(=O)[C@@H](NC(=O)CC[C@H](N)C(=O)O)C(C)(C)C)C(=O)O.

What is the InChIKey of (2S)-2-amino-5-[[(2S)-1-[(1S)-1-carboxyethoxy]-3,3-dimethyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid;(2S)-2-amino-5-[[(2S)-1-[(1S)-1-carboxyethoxy]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid;(2S)-2-amino-5-[[(2S)-1-[(1S)-1-carboxyethoxy]-1-oxobutan-2-yl]amino]-5-oxopentanoic acid;(2S)-2-amino-5-[[(2S)-1-(carboxymethoxy)-3,3-dimethyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid;(2S)-2-amino-5-[[(2S)-1-(carboxymethoxy)-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid;(2S)-2-amino-5-[[(2S)-1-(carboxymethoxy)-1-oxobutan-2-yl]amino]-5-oxopentanoic acid?

The InChIKey is YZGBZUFMSLLFPZ-AKFPOJTJSA-N. The full InChI is InChI=1S/C14H24N2O7.2C13H22N2O7.2C12H20N2O7.C11H18N2O7/c1-7(11(18)19)23-13(22)10(14(2,3)4)16-9(17)6-5-8(15)12(20)21;1-13(2,3)10(12(21)22-6-9(17)18)15-8(16)5-4-7(14)11(19)20;1-6(2)10(13(21)22-7(3)11(17)18)15-9(16)5-4-8(14)12(19)20;1-6(2)10(12(20)21-5-9(16)17)14-8(15)4-3-7(13)11(18)19;1-3-8(12(20)21-6(2)10(16)17)14-9(15)5-4-7(13)11(18)19;1-2-7(11(19)20-5-9(15)16)13-8(14)4-3-6(12)10(17)18/h7-8,10H,5-6,15H2,1-4H3,(H,16,17)(H,18,19)(H,20,21);7,10H,4-6,14H2,1-3H3,(H,15,16)(H,17,18)(H,19,20);6-8,10H,4-5,14H2,1-3H3,(H,15,16)(H,17,18)(H,19,20);6-7,10H,3-5,13H2,1-2H3,(H,14,15)(H,16,17)(H,18,19);6-8H,3-5,13H2,1-2H3,(H,14,15)(H,16,17)(H,18,19);6-7H,2-5,12H2,1H3,(H,13,14)(H,15,16)(H,17,18)/t7-,8-,10+;7-,10+;7-,8-,10-;7-,10-;6-,7-,8-;6-,7-/m000000/s1.

What are the key properties of (2S)-2-amino-5-[[(2S)-1-[(1S)-1-carboxyethoxy]-3,3-dimethyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid;(2S)-2-amino-5-[[(2S)-1-[(1S)-1-carboxyethoxy]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid;(2S)-2-amino-5-[[(2S)-1-[(1S)-1-carboxyethoxy]-1-oxobutan-2-yl]amino]-5-oxopentanoic acid;(2S)-2-amino-5-[[(2S)-1-(carboxymethoxy)-3,3-dimethyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid;(2S)-2-amino-5-[[(2S)-1-(carboxymethoxy)-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid;(2S)-2-amino-5-[[(2S)-1-(carboxymethoxy)-1-oxobutan-2-yl]amino]-5-oxopentanoic acid?

(2S)-2-amino-5-[[(2S)-1-[(1S)-1-carboxyethoxy]-3,3-dimethyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid;(2S)-2-amino-5-[[(2S)-1-[(1S)-1-carboxyethoxy]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid;(2S)-2-amino-5-[[(2S)-1-[(1S)-1-carboxyethoxy]-1-oxobutan-2-yl]amino]-5-oxopentanoic acid;(2S)-2-amino-5-[[(2S)-1-(carboxymethoxy)-3,3-dimethyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid;(2S)-2-amino-5-[[(2S)-1-(carboxymethoxy)-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid;(2S)-2-amino-5-[[(2S)-1-(carboxymethoxy)-1-oxobutan-2-yl]amino]-5-oxopentanoic acid has a molecular weight of 1867.87 g/mol, XLogP of -4.86, 52 rotatable bonds, 24 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-amino-5-[[(2S)-1-[(1S)-1-carboxyethoxy]-3,3-dimethyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid;(2S)-2-amino-5-[[(2S)-1-[(1S)-1-carboxyethoxy]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid;(2S)-2-amino-5-[[(2S)-1-[(1S)-1-carboxyethoxy]-1-oxobutan-2-yl]amino]-5-oxopentanoic acid;(2S)-2-amino-5-[[(2S)-1-(carboxymethoxy)-3,3-dimethyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid;(2S)-2-amino-5-[[(2S)-1-(carboxymethoxy)-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid;(2S)-2-amino-5-[[(2S)-1-(carboxymethoxy)-1-oxobutan-2-yl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 162056438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).