(2R)-5-amino-2-[[(2S)-2-[2-[(2S,3R,4R,5S,6R)-3-amino-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoylamino]propanoyl]amino]-5-oxopentanoic acid

C17H30N4O10 — CID 5487593

About (2R)-5-amino-2-[[(2S)-2-[2-[(2S,3R,4R,5S,6R)-3-amino-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoylamino]propanoyl]amino]-5-oxopentanoic acid

(2R)-5-amino-2-[[(2S)-2-[2-[(2S,3R,4R,5S,6R)-3-amino-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoylamino]propanoyl]amino]-5-oxopentanoic acid (PubChem CID 5487593) has the molecular formula C17H30N4O10 and a molecular weight of 450.45 g/mol. Its IUPAC name is (2R)-5-amino-2-[[(2S)-2-[2-[(2S,3R,4R,5S,6R)-3-amino-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoylamino]propanoyl]amino]-5-oxopentanoic acid.

Molecular Properties

• Compound Name: (2R)-5-amino-2-[[(2S)-2-[2-[(2S,3R,4R,5S,6R)-3-amino-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoylamino]propanoyl]amino]-5-oxopentanoic acid
• PubChem CID: 5487593
• Molecular Formula: C17H30N4O10
• Molecular Weight: 450.45 g/mol
• Exact Mass: 450.20
• IUPAC Name: (2R)-5-amino-2-[[(2S)-2-[2-[(2S,3R,4R,5S,6R)-3-amino-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoylamino]propanoyl]amino]-5-oxopentanoic acid
• SMILES: CC(O[C@@H]1[C@@H](N)[C@@H](O)O[C@H](CO)[C@H]1O)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(N)=O)C(=O)O
• InChI: InChI=1S/C17H30N4O10/c1-6(14(25)21-8(16(27)28)3-4-10(18)23)20-15(26)7(2)30-13-11(19)17(29)31-9(5-22)12(13)24/h6-9,11-13,17,22,24,29H,3-5,19H2,1-2H3,(H2,18,23)(H,20,26)(H,21,25)(H,27,28)/t6-,7?,8+,9+,11+,12+,13+,17-/m0/s1
• InChIKey: VWKQENHPWHYNDP-RSBZEYOASA-N
• XLogP: -4.50
• TPSA: 243.76 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	450.45
LogP ≤ 5	-4.50
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of (2R)-5-amino-2-[[(2S)-2-[2-[(2S,3R,4R,5S,6R)-3-amino-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoylamino]propanoyl]amino]-5-oxopentanoic acid?

The IUPAC name of (2R)-5-amino-2-[[(2S)-2-[2-[(2S,3R,4R,5S,6R)-3-amino-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoylamino]propanoyl]amino]-5-oxopentanoic acid (CID 5487593) is (2R)-5-amino-2-[[(2S)-2-[2-[(2S,3R,4R,5S,6R)-3-amino-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoylamino]propanoyl]amino]-5-oxopentanoic acid.

What is the SMILES notation for (2R)-5-amino-2-[[(2S)-2-[2-[(2S,3R,4R,5S,6R)-3-amino-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoylamino]propanoyl]amino]-5-oxopentanoic acid?

The canonical SMILES for (2R)-5-amino-2-[[(2S)-2-[2-[(2S,3R,4R,5S,6R)-3-amino-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoylamino]propanoyl]amino]-5-oxopentanoic acid is CC(O[C@@H]1[C@@H](N)[C@@H](O)O[C@H](CO)[C@H]1O)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(N)=O)C(=O)O.

What is the InChIKey of (2R)-5-amino-2-[[(2S)-2-[2-[(2S,3R,4R,5S,6R)-3-amino-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoylamino]propanoyl]amino]-5-oxopentanoic acid?

The InChIKey is VWKQENHPWHYNDP-RSBZEYOASA-N. The full InChI is InChI=1S/C17H30N4O10/c1-6(14(25)21-8(16(27)28)3-4-10(18)23)20-15(26)7(2)30-13-11(19)17(29)31-9(5-22)12(13)24/h6-9,11-13,17,22,24,29H,3-5,19H2,1-2H3,(H2,18,23)(H,20,26)(H,21,25)(H,27,28)/t6-,7?,8+,9+,11+,12+,13+,17-/m0/s1.

What are the key properties of (2R)-5-amino-2-[[(2S)-2-[2-[(2S,3R,4R,5S,6R)-3-amino-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoylamino]propanoyl]amino]-5-oxopentanoic acid?

(2R)-5-amino-2-[[(2S)-2-[2-[(2S,3R,4R,5S,6R)-3-amino-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoylamino]propanoyl]amino]-5-oxopentanoic acid has a molecular weight of 450.45 g/mol, XLogP of -4.50, 11 rotatable bonds, 8 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-5-amino-2-[[(2S)-2-[2-[(2S,3R,4R,5S,6R)-3-amino-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoylamino]propanoyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 5487593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).