N-[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]-6-hydroxynaphthalene-2-carboxamide

C29H44N8O5 — CID 25107574

About N-[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]-6-hydroxynaphthalene-2-carboxamide

N-[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]-6-hydroxynaphthalene-2-carboxamide (PubChem CID 25107574) has the molecular formula C29H44N8O5 and a molecular weight of 584.72 g/mol. Its IUPAC name is N-[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]-6-hydroxynaphthalene-2-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]-6-hydroxynaphthalene-2-carboxamide
• PubChem CID: 25107574
• Molecular Formula: C29H44N8O5
• Molecular Weight: 584.72 g/mol
• Exact Mass: 584.34
• IUPAC Name: N-[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]-6-hydroxynaphthalene-2-carboxamide
• SMILES: NCCCC[C@H](NC(=O)c1ccc2cc(O)ccc2c1)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C=O)CCCN=C(N)N
• InChI: InChI=1S/C29H44N8O5/c30-13-3-1-7-24(27(41)35-22(18-38)6-5-15-34-29(32)33)37-28(42)25(8-2-4-14-31)36-26(40)21-10-9-20-17-23(39)12-11-19(20)16-21/h9-12,16-18,22,24-25,39H,1-8,13-15,30-31H2,(H,35,41)(H,36,40)(H,37,42)(H4,32,33,34)/t22-,24-,25-/m0/s1
• InChIKey: YBLAARWBAYORCW-HVCNVCAESA-N
• XLogP: 0.12
• TPSA: 241.04 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 8
• Rotatable Bonds: 19
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	584.72
LogP ≤ 5	0.12
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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-[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]-6-hydroxynaphthalene-2-carboxamide?

The IUPAC name of N-[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]-6-hydroxynaphthalene-2-carboxamide (CID 25107574) is N-[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]-6-hydroxynaphthalene-2-carboxamide.

What is the SMILES notation for N-[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]-6-hydroxynaphthalene-2-carboxamide?

The canonical SMILES for N-[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]-6-hydroxynaphthalene-2-carboxamide is NCCCC[C@H](NC(=O)c1ccc2cc(O)ccc2c1)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C=O)CCCN=C(N)N.

What is the InChIKey of N-[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]-6-hydroxynaphthalene-2-carboxamide?

The InChIKey is YBLAARWBAYORCW-HVCNVCAESA-N. The full InChI is InChI=1S/C29H44N8O5/c30-13-3-1-7-24(27(41)35-22(18-38)6-5-15-34-29(32)33)37-28(42)25(8-2-4-14-31)36-26(40)21-10-9-20-17-23(39)12-11-19(20)16-21/h9-12,16-18,22,24-25,39H,1-8,13-15,30-31H2,(H,35,41)(H,36,40)(H,37,42)(H4,32,33,34)/t22-,24-,25-/m0/s1.

What are the key properties of N-[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]-6-hydroxynaphthalene-2-carboxamide?

N-[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]-6-hydroxynaphthalene-2-carboxamide has a molecular weight of 584.72 g/mol, XLogP of 0.12, 19 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]-6-hydroxynaphthalene-2-carboxamide is sourced from PubChem (CID 25107574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).