2,4-dimethylpentan-2-yl N-[(2S,3R)-1-[(2S)-2-[(2S)-2-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]carbamate

C26H45N5O8 — CID 130384561

About 2,4-dimethylpentan-2-yl N-[(2S,3R)-1-[(2S)-2-[(2S)-2-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]carbamate

2,4-dimethylpentan-2-yl N-[(2S,3R)-1-[(2S)-2-[(2S)-2-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]carbamate (PubChem CID 130384561) has the molecular formula C26H45N5O8 and a molecular weight of 555.67 g/mol. Its IUPAC name is 2,4-dimethylpentan-2-yl N-[(2S,3R)-1-[(2S)-2-[(2S)-2-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]carbamate.

Molecular Properties

• Compound Name: 2,4-dimethylpentan-2-yl N-[(2S,3R)-1-[(2S)-2-[(2S)-2-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]carbamate
• PubChem CID: 130384561
• Molecular Formula: C26H45N5O8
• Molecular Weight: 555.67 g/mol
• Exact Mass: 555.33
• IUPAC Name: 2,4-dimethylpentan-2-yl N-[(2S,3R)-1-[(2S)-2-[(2S)-2-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]carbamate
• SMILES: CC(C)CC(C)(C)OC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)[C@@H](C)O)[C@@H](C)O
• InChI: InChI=1S/C26H45N5O8/c1-14(2)13-26(5,6)39-25(38)29-20(16(4)33)24(37)31-12-8-10-18(31)23(36)30-11-7-9-17(30)22(35)28-19(15(3)32)21(27)34/h14-20,32-33H,7-13H2,1-6H3,(H2,27,34)(H,28,35)(H,29,38)/t15-,16-,17+,18+,19+,20+/m1/s1
• InChIKey: HRIKRDOVDIXSRF-MILMJNAHSA-N
• XLogP: -0.38
• TPSA: 191.60 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	555.67
LogP ≤ 5	-0.38
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylpentan-2-yl N-[(2S,3R)-1-[(2S)-2-[(2S)-2-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]carbamate?

The IUPAC name of 2,4-dimethylpentan-2-yl N-[(2S,3R)-1-[(2S)-2-[(2S)-2-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]carbamate (CID 130384561) is 2,4-dimethylpentan-2-yl N-[(2S,3R)-1-[(2S)-2-[(2S)-2-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]carbamate.

What is the SMILES notation for 2,4-dimethylpentan-2-yl N-[(2S,3R)-1-[(2S)-2-[(2S)-2-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]carbamate?

The canonical SMILES for 2,4-dimethylpentan-2-yl N-[(2S,3R)-1-[(2S)-2-[(2S)-2-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]carbamate is CC(C)CC(C)(C)OC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)[C@@H](C)O)[C@@H](C)O.

What is the InChIKey of 2,4-dimethylpentan-2-yl N-[(2S,3R)-1-[(2S)-2-[(2S)-2-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]carbamate?

The InChIKey is HRIKRDOVDIXSRF-MILMJNAHSA-N. The full InChI is InChI=1S/C26H45N5O8/c1-14(2)13-26(5,6)39-25(38)29-20(16(4)33)24(37)31-12-8-10-18(31)23(36)30-11-7-9-17(30)22(35)28-19(15(3)32)21(27)34/h14-20,32-33H,7-13H2,1-6H3,(H2,27,34)(H,28,35)(H,29,38)/t15-,16-,17+,18+,19+,20+/m1/s1.

What are the key properties of 2,4-dimethylpentan-2-yl N-[(2S,3R)-1-[(2S)-2-[(2S)-2-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]carbamate?

2,4-dimethylpentan-2-yl N-[(2S,3R)-1-[(2S)-2-[(2S)-2-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]carbamate has a molecular weight of 555.67 g/mol, XLogP of -0.38, 11 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-dimethylpentan-2-yl N-[(2S,3R)-1-[(2S)-2-[(2S)-2-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 130384561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).