(2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-[[2-[[(2S)-2-amino-3-(2,3-dihydro-1H-tetrazol-5-yl)propanoyl]amino]acetyl]amino]-3-hydroxybutanoyl]amino]-3-(2-fluorophenyl)-2-methylpropanoyl]amino]-3-hydroxybutanamide

C24H37FN10O7 — CID 169185853

About (2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-[[2-[[(2S)-2-amino-3-(2,3-dihydro-1H-tetrazol-5-yl)propanoyl]amino]acetyl]amino]-3-hydroxybutanoyl]amino]-3-(2-fluorophenyl)-2-methylpropanoyl]amino]-3-hydroxybutanamide

(2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-[[2-[[(2S)-2-amino-3-(2,3-dihydro-1H-tetrazol-5-yl)propanoyl]amino]acetyl]amino]-3-hydroxybutanoyl]amino]-3-(2-fluorophenyl)-2-methylpropanoyl]amino]-3-hydroxybutanamide (PubChem CID 169185853) has the molecular formula C24H37FN10O7 and a molecular weight of 596.62 g/mol. Its IUPAC name is (2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-[[2-[[(2S)-2-amino-3-(2,3-dihydro-1H-tetrazol-5-yl)propanoyl]amino]acetyl]amino]-3-hydroxybutanoyl]amino]-3-(2-fluorophenyl)-2-methylpropanoyl]amino]-3-hydroxybutanamide.

Molecular Properties

• Compound Name: (2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-[[2-[[(2S)-2-amino-3-(2,3-dihydro-1H-tetrazol-5-yl)propanoyl]amino]acetyl]amino]-3-hydroxybutanoyl]amino]-3-(2-fluorophenyl)-2-methylpropanoyl]amino]-3-hydroxybutanamide
• PubChem CID: 169185853
• Molecular Formula: C24H37FN10O7
• Molecular Weight: 596.62 g/mol
• Exact Mass: 596.28
• IUPAC Name: (2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-[[2-[[(2S)-2-amino-3-(2,3-dihydro-1H-tetrazol-5-yl)propanoyl]amino]acetyl]amino]-3-hydroxybutanoyl]amino]-3-(2-fluorophenyl)-2-methylpropanoyl]amino]-3-hydroxybutanamide
• SMILES: C[C@@H](O)[C@H](NC(=O)[C@](C)(Cc1ccccc1F)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](N)CC1=NNNN1)[C@@H](C)O)C(N)=O
• InChI: InChI=1S/C24H37FN10O7/c1-11(36)18(20(27)39)30-23(42)24(3,9-13-6-4-5-7-14(13)25)31-22(41)19(12(2)37)29-17(38)10-28-21(40)15(26)8-16-32-34-35-33-16/h4-7,11-12,15,18-19,34-37H,8-10,26H2,1-3H3,(H2,27,39)(H,28,40)(H,29,38)(H,30,42)(H,31,41)(H,32,33)/t11-,12-,15+,18+,19+,24+/m1/s1
• InChIKey: WEGISYYQGKZHBV-GWLUIYDHSA-N
• XLogP: -4.78
• TPSA: 274.42 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 12
• Rotatable Bonds: 15
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	596.62
LogP ≤ 5	-4.78
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-[[2-[[(2S)-2-amino-3-(2,3-dihydro-1H-tetrazol-5-yl)propanoyl]amino]acetyl]amino]-3-hydroxybutanoyl]amino]-3-(2-fluorophenyl)-2-methylpropanoyl]amino]-3-hydroxybutanamide?

The IUPAC name of (2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-[[2-[[(2S)-2-amino-3-(2,3-dihydro-1H-tetrazol-5-yl)propanoyl]amino]acetyl]amino]-3-hydroxybutanoyl]amino]-3-(2-fluorophenyl)-2-methylpropanoyl]amino]-3-hydroxybutanamide (CID 169185853) is (2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-[[2-[[(2S)-2-amino-3-(2,3-dihydro-1H-tetrazol-5-yl)propanoyl]amino]acetyl]amino]-3-hydroxybutanoyl]amino]-3-(2-fluorophenyl)-2-methylpropanoyl]amino]-3-hydroxybutanamide.

What is the SMILES notation for (2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-[[2-[[(2S)-2-amino-3-(2,3-dihydro-1H-tetrazol-5-yl)propanoyl]amino]acetyl]amino]-3-hydroxybutanoyl]amino]-3-(2-fluorophenyl)-2-methylpropanoyl]amino]-3-hydroxybutanamide?

The canonical SMILES for (2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-[[2-[[(2S)-2-amino-3-(2,3-dihydro-1H-tetrazol-5-yl)propanoyl]amino]acetyl]amino]-3-hydroxybutanoyl]amino]-3-(2-fluorophenyl)-2-methylpropanoyl]amino]-3-hydroxybutanamide is C[C@@H](O)[C@H](NC(=O)[C@](C)(Cc1ccccc1F)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](N)CC1=NNNN1)[C@@H](C)O)C(N)=O.

What is the InChIKey of (2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-[[2-[[(2S)-2-amino-3-(2,3-dihydro-1H-tetrazol-5-yl)propanoyl]amino]acetyl]amino]-3-hydroxybutanoyl]amino]-3-(2-fluorophenyl)-2-methylpropanoyl]amino]-3-hydroxybutanamide?

The InChIKey is WEGISYYQGKZHBV-GWLUIYDHSA-N. The full InChI is InChI=1S/C24H37FN10O7/c1-11(36)18(20(27)39)30-23(42)24(3,9-13-6-4-5-7-14(13)25)31-22(41)19(12(2)37)29-17(38)10-28-21(40)15(26)8-16-32-34-35-33-16/h4-7,11-12,15,18-19,34-37H,8-10,26H2,1-3H3,(H2,27,39)(H,28,40)(H,29,38)(H,30,42)(H,31,41)(H,32,33)/t11-,12-,15+,18+,19+,24+/m1/s1.

What are the key properties of (2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-[[2-[[(2S)-2-amino-3-(2,3-dihydro-1H-tetrazol-5-yl)propanoyl]amino]acetyl]amino]-3-hydroxybutanoyl]amino]-3-(2-fluorophenyl)-2-methylpropanoyl]amino]-3-hydroxybutanamide?

(2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-[[2-[[(2S)-2-amino-3-(2,3-dihydro-1H-tetrazol-5-yl)propanoyl]amino]acetyl]amino]-3-hydroxybutanoyl]amino]-3-(2-fluorophenyl)-2-methylpropanoyl]amino]-3-hydroxybutanamide has a molecular weight of 596.62 g/mol, XLogP of -4.78, 15 rotatable bonds, 11 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-[[2-[[(2S)-2-amino-3-(2,3-dihydro-1H-tetrazol-5-yl)propanoyl]amino]acetyl]amino]-3-hydroxybutanoyl]amino]-3-(2-fluorophenyl)-2-methylpropanoyl]amino]-3-hydroxybutanamide is sourced from PubChem (CID 169185853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).