methyl (2S)-2-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;methyl (2S)-2-[[4-methyl-2-[[2-[1-(oxan-2-yl)indazol-4-yl]acetyl]amino]-1,3-thiazole-5-carbonyl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;4-methyl-2-[[2-[1-(oxan-2-yl)indazol-4-yl]acetyl]amino]-1,3-thiazole-5-carboxylic acid

C56H74N12O15S2 — CID 159406769

About methyl (2S)-2-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;methyl (2S)-2-[[4-methyl-2-[[2-[1-(oxan-2-yl)indazol-4-yl]acetyl]amino]-1,3-thiazole-5-carbonyl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;4-methyl-2-[[2-[1-(oxan-2-yl)indazol-4-yl]acetyl]amino]-1,3-thiazole-5-carboxylic acid

methyl (2S)-2-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;methyl (2S)-2-[[4-methyl-2-[[2-[1-(oxan-2-yl)indazol-4-yl]acetyl]amino]-1,3-thiazole-5-carbonyl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;4-methyl-2-[[2-[1-(oxan-2-yl)indazol-4-yl]acetyl]amino]-1,3-thiazole-5-carboxylic acid (PubChem CID 159406769) has the molecular formula C56H74N12O15S2 and a molecular weight of 1219.41 g/mol. Its IUPAC name is methyl (2S)-2-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;methyl (2S)-2-[[4-methyl-2-[[2-[1-(oxan-2-yl)indazol-4-yl]acetyl]amino]-1,3-thiazole-5-carbonyl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;4-methyl-2-[[2-[1-(oxan-2-yl)indazol-4-yl]acetyl]amino]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

• Compound Name: methyl (2S)-2-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;methyl (2S)-2-[[4-methyl-2-[[2-[1-(oxan-2-yl)indazol-4-yl]acetyl]amino]-1,3-thiazole-5-carbonyl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;4-methyl-2-[[2-[1-(oxan-2-yl)indazol-4-yl]acetyl]amino]-1,3-thiazole-5-carboxylic acid
• PubChem CID: 159406769
• Molecular Formula: C56H74N12O15S2
• Molecular Weight: 1219.41 g/mol
• Exact Mass: 1218.48
• IUPAC Name: methyl (2S)-2-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;methyl (2S)-2-[[4-methyl-2-[[2-[1-(oxan-2-yl)indazol-4-yl]acetyl]amino]-1,3-thiazole-5-carbonyl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;4-methyl-2-[[2-[1-(oxan-2-yl)indazol-4-yl]acetyl]amino]-1,3-thiazole-5-carboxylic acid
• SMILES: COC(=O)[C@@H](N)CNC(=O)OC(C)(C)C.COC(=O)[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1sc(NC(=O)Cc2cccc3c2cnn3C2CCCCO2)nc1C.Cc1nc(NC(=O)Cc2cccc3c2cnn3C2CCCCO2)sc1C(=O)O
• InChI: InChI=1S/C28H36N6O7S.C19H20N4O4S.C9H18N2O4/c1-16-23(24(36)32-19(25(37)39-5)15-29-27(38)41-28(2,3)4)42-26(31-16)33-21(35)13-17-9-8-10-20-18(17)14-30-34(20)22-11-6-7-12-40-22;1-11-17(18(25)26)28-19(21-11)22-15(24)9-12-5-4-6-14-13(12)10-20-23(14)16-7-2-3-8-27-16;1-9(2,3)15-8(13)11-5-6(10)7(12)14-4/h8-10,14,19,22H,6-7,11-13,15H2,1-5H3,(H,29,38)(H,32,36)(H,31,33,35);4-6,10,16H,2-3,7-9H2,1H3,(H,25,26)(H,21,22,24);6H,5,10H2,1-4H3,(H,11,13)/t19-,22?;;6-/m0.0/s1
• InChIKey: LOBFGGMJURYTLI-HONDPGPCSA-N
• XLogP: 6.87
• TPSA: 359.76 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 23
• Rotatable Bonds: 17
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1219.41
LogP ≤ 5	6.87
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;methyl (2S)-2-[[4-methyl-2-[[2-[1-(oxan-2-yl)indazol-4-yl]acetyl]amino]-1,3-thiazole-5-carbonyl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;4-methyl-2-[[2-[1-(oxan-2-yl)indazol-4-yl]acetyl]amino]-1,3-thiazole-5-carboxylic acid?

The IUPAC name of methyl (2S)-2-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;methyl (2S)-2-[[4-methyl-2-[[2-[1-(oxan-2-yl)indazol-4-yl]acetyl]amino]-1,3-thiazole-5-carbonyl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;4-methyl-2-[[2-[1-(oxan-2-yl)indazol-4-yl]acetyl]amino]-1,3-thiazole-5-carboxylic acid (CID 159406769) is methyl (2S)-2-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;methyl (2S)-2-[[4-methyl-2-[[2-[1-(oxan-2-yl)indazol-4-yl]acetyl]amino]-1,3-thiazole-5-carbonyl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;4-methyl-2-[[2-[1-(oxan-2-yl)indazol-4-yl]acetyl]amino]-1,3-thiazole-5-carboxylic acid.

What is the SMILES notation for methyl (2S)-2-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;methyl (2S)-2-[[4-methyl-2-[[2-[1-(oxan-2-yl)indazol-4-yl]acetyl]amino]-1,3-thiazole-5-carbonyl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;4-methyl-2-[[2-[1-(oxan-2-yl)indazol-4-yl]acetyl]amino]-1,3-thiazole-5-carboxylic acid?

The canonical SMILES for methyl (2S)-2-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;methyl (2S)-2-[[4-methyl-2-[[2-[1-(oxan-2-yl)indazol-4-yl]acetyl]amino]-1,3-thiazole-5-carbonyl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;4-methyl-2-[[2-[1-(oxan-2-yl)indazol-4-yl]acetyl]amino]-1,3-thiazole-5-carboxylic acid is COC(=O)[C@@H](N)CNC(=O)OC(C)(C)C.COC(=O)[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1sc(NC(=O)Cc2cccc3c2cnn3C2CCCCO2)nc1C.Cc1nc(NC(=O)Cc2cccc3c2cnn3C2CCCCO2)sc1C(=O)O.

What is the InChIKey of methyl (2S)-2-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;methyl (2S)-2-[[4-methyl-2-[[2-[1-(oxan-2-yl)indazol-4-yl]acetyl]amino]-1,3-thiazole-5-carbonyl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;4-methyl-2-[[2-[1-(oxan-2-yl)indazol-4-yl]acetyl]amino]-1,3-thiazole-5-carboxylic acid?

The InChIKey is LOBFGGMJURYTLI-HONDPGPCSA-N. The full InChI is InChI=1S/C28H36N6O7S.C19H20N4O4S.C9H18N2O4/c1-16-23(24(36)32-19(25(37)39-5)15-29-27(38)41-28(2,3)4)42-26(31-16)33-21(35)13-17-9-8-10-20-18(17)14-30-34(20)22-11-6-7-12-40-22;1-11-17(18(25)26)28-19(21-11)22-15(24)9-12-5-4-6-14-13(12)10-20-23(14)16-7-2-3-8-27-16;1-9(2,3)15-8(13)11-5-6(10)7(12)14-4/h8-10,14,19,22H,6-7,11-13,15H2,1-5H3,(H,29,38)(H,32,36)(H,31,33,35);4-6,10,16H,2-3,7-9H2,1H3,(H,25,26)(H,21,22,24);6H,5,10H2,1-4H3,(H,11,13)/t19-,22?;;6-/m0.0/s1.

What are the key properties of methyl (2S)-2-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;methyl (2S)-2-[[4-methyl-2-[[2-[1-(oxan-2-yl)indazol-4-yl]acetyl]amino]-1,3-thiazole-5-carbonyl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;4-methyl-2-[[2-[1-(oxan-2-yl)indazol-4-yl]acetyl]amino]-1,3-thiazole-5-carboxylic acid?

methyl (2S)-2-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;methyl (2S)-2-[[4-methyl-2-[[2-[1-(oxan-2-yl)indazol-4-yl]acetyl]amino]-1,3-thiazole-5-carbonyl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;4-methyl-2-[[2-[1-(oxan-2-yl)indazol-4-yl]acetyl]amino]-1,3-thiazole-5-carboxylic acid has a molecular weight of 1219.41 g/mol, XLogP of 6.87, 17 rotatable bonds, 7 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for methyl (2S)-2-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;methyl (2S)-2-[[4-methyl-2-[[2-[1-(oxan-2-yl)indazol-4-yl]acetyl]amino]-1,3-thiazole-5-carbonyl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;4-methyl-2-[[2-[1-(oxan-2-yl)indazol-4-yl]acetyl]amino]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 159406769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).