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

C17H32N4O9 — CID 70463718

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

(2R)-5-amino-2-[2-[(2S,3R,4R,5S,6R)-3-amino-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropyl-[(2S)-2-aminopropanoyl]amino]-5-oxopentanoic acid (PubChem CID 70463718) has the molecular formula C17H32N4O9 and a molecular weight of 436.46 g/mol. Its IUPAC name is (2R)-5-amino-2-[2-[(2S,3R,4R,5S,6R)-3-amino-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropyl-[(2S)-2-aminopropanoyl]amino]-5-oxopentanoic acid.

Molecular Properties

• Compound Name: (2R)-5-amino-2-[2-[(2S,3R,4R,5S,6R)-3-amino-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropyl-[(2S)-2-aminopropanoyl]amino]-5-oxopentanoic acid
• PubChem CID: 70463718
• Molecular Formula: C17H32N4O9
• Molecular Weight: 436.46 g/mol
• Exact Mass: 436.22
• IUPAC Name: (2R)-5-amino-2-[2-[(2S,3R,4R,5S,6R)-3-amino-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropyl-[(2S)-2-aminopropanoyl]amino]-5-oxopentanoic acid
• SMILES: CC(CN(C(=O)[C@H](C)N)[C@H](CCC(N)=O)C(=O)O)O[C@@H]1[C@@H](N)[C@@H](O)O[C@H](CO)[C@H]1O
• InChI: InChI=1S/C17H32N4O9/c1-7(29-14-12(20)17(28)30-10(6-22)13(14)24)5-21(15(25)8(2)18)9(16(26)27)3-4-11(19)23/h7-10,12-14,17,22,24,28H,3-6,18,20H2,1-2H3,(H2,19,23)(H,26,27)/t7?,8-,9+,10+,12+,13+,14+,17-/m0/s1
• InChIKey: ZYCIDQRSKJNBAV-ZUOSKNSOSA-N
• XLogP: -3.95
• TPSA: 231.89 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	436.46
LogP ≤ 5	-3.95
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of (2R)-5-amino-2-[2-[(2S,3R,4R,5S,6R)-3-amino-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropyl-[(2S)-2-aminopropanoyl]amino]-5-oxopentanoic acid (CID 70463718) is (2R)-5-amino-2-[2-[(2S,3R,4R,5S,6R)-3-amino-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropyl-[(2S)-2-aminopropanoyl]amino]-5-oxopentanoic acid.

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

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

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

The InChIKey is ZYCIDQRSKJNBAV-ZUOSKNSOSA-N. The full InChI is InChI=1S/C17H32N4O9/c1-7(29-14-12(20)17(28)30-10(6-22)13(14)24)5-21(15(25)8(2)18)9(16(26)27)3-4-11(19)23/h7-10,12-14,17,22,24,28H,3-6,18,20H2,1-2H3,(H2,19,23)(H,26,27)/t7?,8-,9+,10+,12+,13+,14+,17-/m0/s1.

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

(2R)-5-amino-2-[2-[(2S,3R,4R,5S,6R)-3-amino-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropyl-[(2S)-2-aminopropanoyl]amino]-5-oxopentanoic acid has a molecular weight of 436.46 g/mol, XLogP of -3.95, 11 rotatable bonds, 7 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-5-amino-2-[2-[(2S,3R,4R,5S,6R)-3-amino-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropyl-[(2S)-2-aminopropanoyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 70463718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).