(2S,3R)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2R)-2-[[(2S)-2,4-diaminobutanoyl]amino]-4-methylpentanoyl]amino]pentanoyl]amino]butanoyl]amino]-3-hydroxybutanoic acid

C23H45N7O7 — CID 175763041

About (2S,3R)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2R)-2-[[(2S)-2,4-diaminobutanoyl]amino]-4-methylpentanoyl]amino]pentanoyl]amino]butanoyl]amino]-3-hydroxybutanoic acid

(2S,3R)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2R)-2-[[(2S)-2,4-diaminobutanoyl]amino]-4-methylpentanoyl]amino]pentanoyl]amino]butanoyl]amino]-3-hydroxybutanoic acid (PubChem CID 175763041) has the molecular formula C23H45N7O7 and a molecular weight of 531.66 g/mol. Its IUPAC name is (2S,3R)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2R)-2-[[(2S)-2,4-diaminobutanoyl]amino]-4-methylpentanoyl]amino]pentanoyl]amino]butanoyl]amino]-3-hydroxybutanoic acid.

Molecular Properties

• Compound Name: (2S,3R)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2R)-2-[[(2S)-2,4-diaminobutanoyl]amino]-4-methylpentanoyl]amino]pentanoyl]amino]butanoyl]amino]-3-hydroxybutanoic acid
• PubChem CID: 175763041
• Molecular Formula: C23H45N7O7
• Molecular Weight: 531.66 g/mol
• Exact Mass: 531.34
• IUPAC Name: (2S,3R)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2R)-2-[[(2S)-2,4-diaminobutanoyl]amino]-4-methylpentanoyl]amino]pentanoyl]amino]butanoyl]amino]-3-hydroxybutanoic acid
• SMILES: CCC[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](N)CCN)C(=O)N[C@@H](CCN)C(=O)N[C@H](C(=O)O)[C@@H](C)O
• InChI: InChI=1S/C23H45N7O7/c1-5-6-15(27-22(35)17(11-12(2)3)29-19(32)14(26)7-9-24)20(33)28-16(8-10-25)21(34)30-18(13(4)31)23(36)37/h12-18,31H,5-11,24-26H2,1-4H3,(H,27,35)(H,28,33)(H,29,32)(H,30,34)(H,36,37)/t13-,14+,15+,16+,17-,18+/m1/s1
• InChIKey: WGBZNJDPIJQJLH-CJNLHWCBSA-N
• XLogP: -2.74
• TPSA: 251.99 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 9
• Rotatable Bonds: 18
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	531.66
LogP ≤ 5	-2.74
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2R)-2-[[(2S)-2,4-diaminobutanoyl]amino]-4-methylpentanoyl]amino]pentanoyl]amino]butanoyl]amino]-3-hydroxybutanoic acid?

The IUPAC name of (2S,3R)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2R)-2-[[(2S)-2,4-diaminobutanoyl]amino]-4-methylpentanoyl]amino]pentanoyl]amino]butanoyl]amino]-3-hydroxybutanoic acid (CID 175763041) is (2S,3R)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2R)-2-[[(2S)-2,4-diaminobutanoyl]amino]-4-methylpentanoyl]amino]pentanoyl]amino]butanoyl]amino]-3-hydroxybutanoic acid.

What is the SMILES notation for (2S,3R)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2R)-2-[[(2S)-2,4-diaminobutanoyl]amino]-4-methylpentanoyl]amino]pentanoyl]amino]butanoyl]amino]-3-hydroxybutanoic acid?

The canonical SMILES for (2S,3R)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2R)-2-[[(2S)-2,4-diaminobutanoyl]amino]-4-methylpentanoyl]amino]pentanoyl]amino]butanoyl]amino]-3-hydroxybutanoic acid is CCC[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](N)CCN)C(=O)N[C@@H](CCN)C(=O)N[C@H](C(=O)O)[C@@H](C)O.

What is the InChIKey of (2S,3R)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2R)-2-[[(2S)-2,4-diaminobutanoyl]amino]-4-methylpentanoyl]amino]pentanoyl]amino]butanoyl]amino]-3-hydroxybutanoic acid?

The InChIKey is WGBZNJDPIJQJLH-CJNLHWCBSA-N. The full InChI is InChI=1S/C23H45N7O7/c1-5-6-15(27-22(35)17(11-12(2)3)29-19(32)14(26)7-9-24)20(33)28-16(8-10-25)21(34)30-18(13(4)31)23(36)37/h12-18,31H,5-11,24-26H2,1-4H3,(H,27,35)(H,28,33)(H,29,32)(H,30,34)(H,36,37)/t13-,14+,15+,16+,17-,18+/m1/s1.

What are the key properties of (2S,3R)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2R)-2-[[(2S)-2,4-diaminobutanoyl]amino]-4-methylpentanoyl]amino]pentanoyl]amino]butanoyl]amino]-3-hydroxybutanoic acid?

(2S,3R)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2R)-2-[[(2S)-2,4-diaminobutanoyl]amino]-4-methylpentanoyl]amino]pentanoyl]amino]butanoyl]amino]-3-hydroxybutanoic acid has a molecular weight of 531.66 g/mol, XLogP of -2.74, 18 rotatable bonds, 9 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,3R)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2R)-2-[[(2S)-2,4-diaminobutanoyl]amino]-4-methylpentanoyl]amino]pentanoyl]amino]butanoyl]amino]-3-hydroxybutanoic acid is sourced from PubChem (CID 175763041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).