(2S)-1-[(1R)-2-[(2S,3R)-2-amino-3-hydroxybutanoyl]cyclopentanecarbonyl]-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]pyrrolidine-2-carboxamide

C19H32N4O6 — CID 134487320

About (2S)-1-[(1R)-2-[(2S,3R)-2-amino-3-hydroxybutanoyl]cyclopentanecarbonyl]-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]pyrrolidine-2-carboxamide

(2S)-1-[(1R)-2-[(2S,3R)-2-amino-3-hydroxybutanoyl]cyclopentanecarbonyl]-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]pyrrolidine-2-carboxamide (PubChem CID 134487320) has the molecular formula C19H32N4O6 and a molecular weight of 412.49 g/mol. Its IUPAC name is (2S)-1-[(1R)-2-[(2S,3R)-2-amino-3-hydroxybutanoyl]cyclopentanecarbonyl]-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]pyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: (2S)-1-[(1R)-2-[(2S,3R)-2-amino-3-hydroxybutanoyl]cyclopentanecarbonyl]-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]pyrrolidine-2-carboxamide
• PubChem CID: 134487320
• Molecular Formula: C19H32N4O6
• Molecular Weight: 412.49 g/mol
• Exact Mass: 412.23
• IUPAC Name: (2S)-1-[(1R)-2-[(2S,3R)-2-amino-3-hydroxybutanoyl]cyclopentanecarbonyl]-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]pyrrolidine-2-carboxamide
• SMILES: C[C@@H](O)[C@H](N)C(=O)C1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)[C@@H](C)O
• InChI: InChI=1S/C19H32N4O6/c1-9(24)14(20)16(26)11-5-3-6-12(11)19(29)23-8-4-7-13(23)18(28)22-15(10(2)25)17(21)27/h9-15,24-25H,3-8,20H2,1-2H3,(H2,21,27)(H,22,28)/t9-,10-,11?,12-,13+,14+,15+/m1/s1
• InChIKey: RCOJVHVYLSZLRU-JAGFZLAQSA-N
• XLogP: -1.98
• TPSA: 176.05 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	412.49
LogP ≤ 5	-1.98
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(1R)-2-[(2S,3R)-2-amino-3-hydroxybutanoyl]cyclopentanecarbonyl]-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]pyrrolidine-2-carboxamide?

The IUPAC name of (2S)-1-[(1R)-2-[(2S,3R)-2-amino-3-hydroxybutanoyl]cyclopentanecarbonyl]-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]pyrrolidine-2-carboxamide (CID 134487320) is (2S)-1-[(1R)-2-[(2S,3R)-2-amino-3-hydroxybutanoyl]cyclopentanecarbonyl]-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]pyrrolidine-2-carboxamide.

What is the SMILES notation for (2S)-1-[(1R)-2-[(2S,3R)-2-amino-3-hydroxybutanoyl]cyclopentanecarbonyl]-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]pyrrolidine-2-carboxamide?

The canonical SMILES for (2S)-1-[(1R)-2-[(2S,3R)-2-amino-3-hydroxybutanoyl]cyclopentanecarbonyl]-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]pyrrolidine-2-carboxamide is C[C@@H](O)[C@H](N)C(=O)C1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)[C@@H](C)O.

What is the InChIKey of (2S)-1-[(1R)-2-[(2S,3R)-2-amino-3-hydroxybutanoyl]cyclopentanecarbonyl]-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]pyrrolidine-2-carboxamide?

The InChIKey is RCOJVHVYLSZLRU-JAGFZLAQSA-N. The full InChI is InChI=1S/C19H32N4O6/c1-9(24)14(20)16(26)11-5-3-6-12(11)19(29)23-8-4-7-13(23)18(28)22-15(10(2)25)17(21)27/h9-15,24-25H,3-8,20H2,1-2H3,(H2,21,27)(H,22,28)/t9-,10-,11?,12-,13+,14+,15+/m1/s1.

What are the key properties of (2S)-1-[(1R)-2-[(2S,3R)-2-amino-3-hydroxybutanoyl]cyclopentanecarbonyl]-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]pyrrolidine-2-carboxamide?

(2S)-1-[(1R)-2-[(2S,3R)-2-amino-3-hydroxybutanoyl]cyclopentanecarbonyl]-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]pyrrolidine-2-carboxamide has a molecular weight of 412.49 g/mol, XLogP of -1.98, 8 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-1-[(1R)-2-[(2S,3R)-2-amino-3-hydroxybutanoyl]cyclopentanecarbonyl]-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 134487320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).