(2S)-2-amino-N-[(2S)-4-amino-1-[[(2S)-5-amino-1,5-dioxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]pentanediamide

C14H24N6O6 — CID 123178673

About (2S)-2-amino-N-[(2S)-4-amino-1-[[(2S)-5-amino-1,5-dioxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]pentanediamide

(2S)-2-amino-N-[(2S)-4-amino-1-[[(2S)-5-amino-1,5-dioxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]pentanediamide (PubChem CID 123178673) has the molecular formula C14H24N6O6 and a molecular weight of 372.38 g/mol. Its IUPAC name is (2S)-2-amino-N-[(2S)-4-amino-1-[[(2S)-5-amino-1,5-dioxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]pentanediamide.

Molecular Properties

• Compound Name: (2S)-2-amino-N-[(2S)-4-amino-1-[[(2S)-5-amino-1,5-dioxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]pentanediamide
• PubChem CID: 123178673
• Molecular Formula: C14H24N6O6
• Molecular Weight: 372.38 g/mol
• Exact Mass: 372.18
• IUPAC Name: (2S)-2-amino-N-[(2S)-4-amino-1-[[(2S)-5-amino-1,5-dioxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]pentanediamide
• SMILES: NC(=O)CC[C@@H](C=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CCC(N)=O
• InChI: InChI=1S/C14H24N6O6/c15-8(2-4-11(17)23)13(25)20-9(5-12(18)24)14(26)19-7(6-21)1-3-10(16)22/h6-9H,1-5,15H2,(H2,16,22)(H2,17,23)(H2,18,24)(H,19,26)(H,20,25)/t7-,8-,9-/m0/s1
• InChIKey: XXMVKVSEQDONRZ-CIUDSAMLSA-N
• XLogP: -4.11
• TPSA: 230.56 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 7
• Rotatable Bonds: 13
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	372.38
LogP ≤ 5	-4.11
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(2S)-4-amino-1-[[(2S)-5-amino-1,5-dioxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]pentanediamide?

The IUPAC name of (2S)-2-amino-N-[(2S)-4-amino-1-[[(2S)-5-amino-1,5-dioxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]pentanediamide (CID 123178673) is (2S)-2-amino-N-[(2S)-4-amino-1-[[(2S)-5-amino-1,5-dioxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]pentanediamide.

What is the SMILES notation for (2S)-2-amino-N-[(2S)-4-amino-1-[[(2S)-5-amino-1,5-dioxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]pentanediamide?

The canonical SMILES for (2S)-2-amino-N-[(2S)-4-amino-1-[[(2S)-5-amino-1,5-dioxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]pentanediamide is NC(=O)CC[C@@H](C=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CCC(N)=O.

What is the InChIKey of (2S)-2-amino-N-[(2S)-4-amino-1-[[(2S)-5-amino-1,5-dioxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]pentanediamide?

The InChIKey is XXMVKVSEQDONRZ-CIUDSAMLSA-N. The full InChI is InChI=1S/C14H24N6O6/c15-8(2-4-11(17)23)13(25)20-9(5-12(18)24)14(26)19-7(6-21)1-3-10(16)22/h6-9H,1-5,15H2,(H2,16,22)(H2,17,23)(H2,18,24)(H,19,26)(H,20,25)/t7-,8-,9-/m0/s1.

What are the key properties of (2S)-2-amino-N-[(2S)-4-amino-1-[[(2S)-5-amino-1,5-dioxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]pentanediamide?

(2S)-2-amino-N-[(2S)-4-amino-1-[[(2S)-5-amino-1,5-dioxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]pentanediamide has a molecular weight of 372.38 g/mol, XLogP of -4.11, 13 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-amino-N-[(2S)-4-amino-1-[[(2S)-5-amino-1,5-dioxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]pentanediamide is sourced from PubChem (CID 123178673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).