N-[2-[[(2S)-1-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]tetradecanamide

C28H56N10O4 — CID 11467492

About N-[2-[[(2S)-1-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]tetradecanamide

N-[2-[[(2S)-1-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]tetradecanamide (PubChem CID 11467492) has the molecular formula C28H56N10O4 and a molecular weight of 596.82 g/mol. Its IUPAC name is N-[2-[[(2S)-1-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]tetradecanamide.

Molecular Properties

• Compound Name: N-[2-[[(2S)-1-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]tetradecanamide
• PubChem CID: 11467492
• Molecular Formula: C28H56N10O4
• Molecular Weight: 596.82 g/mol
• Exact Mass: 596.45
• IUPAC Name: N-[2-[[(2S)-1-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]tetradecanamide
• SMILES: CCCCCCCCCCCCCC(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(N)=O
• InChI: InChI=1S/C28H56N10O4/c1-2-3-4-5-6-7-8-9-10-11-12-17-23(39)36-20-24(40)37-22(16-14-19-35-28(32)33)26(42)38-21(25(29)41)15-13-18-34-27(30)31/h21-22H,2-20H2,1H3,(H2,29,41)(H,36,39)(H,37,40)(H,38,42)(H4,30,31,34)(H4,32,33,35)/t21-,22-/m0/s1
• InChIKey: SGKNCVKQZRMBDC-VXKWHMMOSA-N
• XLogP: 0.37
• TPSA: 259.19 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 6
• Rotatable Bonds: 26
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	596.82
LogP ≤ 5	0.37
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(2S)-1-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]tetradecanamide?

The IUPAC name of N-[2-[[(2S)-1-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]tetradecanamide (CID 11467492) is N-[2-[[(2S)-1-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]tetradecanamide.

What is the SMILES notation for N-[2-[[(2S)-1-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]tetradecanamide?

The canonical SMILES for N-[2-[[(2S)-1-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]tetradecanamide is CCCCCCCCCCCCCC(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(N)=O.

What is the InChIKey of N-[2-[[(2S)-1-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]tetradecanamide?

The InChIKey is SGKNCVKQZRMBDC-VXKWHMMOSA-N. The full InChI is InChI=1S/C28H56N10O4/c1-2-3-4-5-6-7-8-9-10-11-12-17-23(39)36-20-24(40)37-22(16-14-19-35-28(32)33)26(42)38-21(25(29)41)15-13-18-34-27(30)31/h21-22H,2-20H2,1H3,(H2,29,41)(H,36,39)(H,37,40)(H,38,42)(H4,30,31,34)(H4,32,33,35)/t21-,22-/m0/s1.

What are the key properties of N-[2-[[(2S)-1-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]tetradecanamide?

N-[2-[[(2S)-1-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]tetradecanamide has a molecular weight of 596.82 g/mol, XLogP of 0.37, 26 rotatable bonds, 8 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[(2S)-1-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]tetradecanamide is sourced from PubChem (CID 11467492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).