N-hydroxy-1-[[4-[2-[2-[2-[2-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]phenyl]methyl]indole-6-carboxamide

C47H58N6O10S — CID 171476041

About N-hydroxy-1-[[4-[2-[2-[2-[2-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]phenyl]methyl]indole-6-carboxamide

N-hydroxy-1-[[4-[2-[2-[2-[2-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]phenyl]methyl]indole-6-carboxamide (PubChem CID 171476041) has the molecular formula C47H58N6O10S and a molecular weight of 899.08 g/mol. Its IUPAC name is N-hydroxy-1-[[4-[2-[2-[2-[2-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]phenyl]methyl]indole-6-carboxamide.

Molecular Properties

• Compound Name: N-hydroxy-1-[[4-[2-[2-[2-[2-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]phenyl]methyl]indole-6-carboxamide
• PubChem CID: 171476041
• Molecular Formula: C47H58N6O10S
• Molecular Weight: 899.08 g/mol
• Exact Mass: 898.39
• IUPAC Name: N-hydroxy-1-[[4-[2-[2-[2-[2-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]phenyl]methyl]indole-6-carboxamide
• SMILES: Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCOCCOCCOc2ccc(Cn3ccc4ccc(C(=O)NO)cc43)cc2)C(C)(C)C)cc1
• InChI: InChI=1S/C47H58N6O10S/c1-30(33-8-11-35(12-9-33)42-31(2)48-29-64-42)49-45(57)40-25-37(54)27-53(40)46(58)43(47(3,4)5)50-41(55)28-62-21-20-60-18-19-61-22-23-63-38-14-6-32(7-15-38)26-52-17-16-34-10-13-36(24-39(34)52)44(56)51-59/h6-17,24,29-30,37,40,43,54,59H,18-23,25-28H2,1-5H3,(H,49,57)(H,50,55)(H,51,56)/t30-,37+,40-,43+/m0/s1
• InChIKey: SUIXPOMMSGYTFF-CVFMEUHCSA-N
• XLogP: 5.04
• TPSA: 202.81 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 13
• Rotatable Bonds: 21
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	899.08
LogP ≤ 5	5.04
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-1-[[4-[2-[2-[2-[2-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]phenyl]methyl]indole-6-carboxamide?

The IUPAC name of N-hydroxy-1-[[4-[2-[2-[2-[2-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]phenyl]methyl]indole-6-carboxamide (CID 171476041) is N-hydroxy-1-[[4-[2-[2-[2-[2-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]phenyl]methyl]indole-6-carboxamide.

What is the SMILES notation for N-hydroxy-1-[[4-[2-[2-[2-[2-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]phenyl]methyl]indole-6-carboxamide?

The canonical SMILES for N-hydroxy-1-[[4-[2-[2-[2-[2-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]phenyl]methyl]indole-6-carboxamide is Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCOCCOCCOc2ccc(Cn3ccc4ccc(C(=O)NO)cc43)cc2)C(C)(C)C)cc1.

What is the InChIKey of N-hydroxy-1-[[4-[2-[2-[2-[2-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]phenyl]methyl]indole-6-carboxamide?

The InChIKey is SUIXPOMMSGYTFF-CVFMEUHCSA-N. The full InChI is InChI=1S/C47H58N6O10S/c1-30(33-8-11-35(12-9-33)42-31(2)48-29-64-42)49-45(57)40-25-37(54)27-53(40)46(58)43(47(3,4)5)50-41(55)28-62-21-20-60-18-19-61-22-23-63-38-14-6-32(7-15-38)26-52-17-16-34-10-13-36(24-39(34)52)44(56)51-59/h6-17,24,29-30,37,40,43,54,59H,18-23,25-28H2,1-5H3,(H,49,57)(H,50,55)(H,51,56)/t30-,37+,40-,43+/m0/s1.

What are the key properties of N-hydroxy-1-[[4-[2-[2-[2-[2-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]phenyl]methyl]indole-6-carboxamide?

N-hydroxy-1-[[4-[2-[2-[2-[2-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]phenyl]methyl]indole-6-carboxamide has a molecular weight of 899.08 g/mol, XLogP of 5.04, 21 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for N-hydroxy-1-[[4-[2-[2-[2-[2-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]phenyl]methyl]indole-6-carboxamide is sourced from PubChem (CID 171476041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).