N-[(2S)-1-[[(2S)-1-[[(3S,4S)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-3-hydroxy-6-methyl-1-oxoheptan-4-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-naphthalen-1-yl-1-oxopropan-2-yl]pyridine-3-carboxamide;dihydrochloride

C39H57Cl2N7O6 — CID 70440699

About N-[(2S)-1-[[(2S)-1-[[(3S,4S)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-3-hydroxy-6-methyl-1-oxoheptan-4-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-naphthalen-1-yl-1-oxopropan-2-yl]pyridine-3-carboxamide;dihydrochloride

N-[(2S)-1-[[(2S)-1-[[(3S,4S)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-3-hydroxy-6-methyl-1-oxoheptan-4-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-naphthalen-1-yl-1-oxopropan-2-yl]pyridine-3-carboxamide;dihydrochloride (PubChem CID 70440699) has the molecular formula C39H57Cl2N7O6 and a molecular weight of 790.83 g/mol. Its IUPAC name is N-[(2S)-1-[[(2S)-1-[[(3S,4S)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-3-hydroxy-6-methyl-1-oxoheptan-4-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-naphthalen-1-yl-1-oxopropan-2-yl]pyridine-3-carboxamide;dihydrochloride.

Molecular Properties

• Compound Name: N-[(2S)-1-[[(2S)-1-[[(3S,4S)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-3-hydroxy-6-methyl-1-oxoheptan-4-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-naphthalen-1-yl-1-oxopropan-2-yl]pyridine-3-carboxamide;dihydrochloride
• PubChem CID: 70440699
• Molecular Formula: C39H57Cl2N7O6
• Molecular Weight: 790.83 g/mol
• Exact Mass: 789.37
• IUPAC Name: N-[(2S)-1-[[(2S)-1-[[(3S,4S)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-3-hydroxy-6-methyl-1-oxoheptan-4-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-naphthalen-1-yl-1-oxopropan-2-yl]pyridine-3-carboxamide;dihydrochloride
• SMILES: CC(C)C[C@H](NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)c1cccnc1)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](CCCCN)C(N)=O.Cl.Cl
• InChI: InChI=1S/C39H55N7O6.2ClH/c1-24(2)19-31(34(47)22-35(48)43-30(36(41)49)16-7-8-17-40)44-38(51)32(20-25(3)4)46-39(52)33(45-37(50)28-14-10-18-42-23-28)21-27-13-9-12-26-11-5-6-15-29(26)27;;/h5-6,9-15,18,23-25,30-34,47H,7-8,16-17,19-22,40H2,1-4H3,(H2,41,49)(H,43,48)(H,44,51)(H,45,50)(H,46,52);2*1H/t30-,31-,32-,33-,34-;;/m0../s1
• InChIKey: FVCLPRYWFNWXPE-AVEXNAMASA-N
• XLogP: 3.33
• TPSA: 218.63 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 8
• Rotatable Bonds: 21
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	790.83
LogP ≤ 5	3.33
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[[(2S)-1-[[(3S,4S)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-3-hydroxy-6-methyl-1-oxoheptan-4-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-naphthalen-1-yl-1-oxopropan-2-yl]pyridine-3-carboxamide;dihydrochloride?

The IUPAC name of N-[(2S)-1-[[(2S)-1-[[(3S,4S)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-3-hydroxy-6-methyl-1-oxoheptan-4-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-naphthalen-1-yl-1-oxopropan-2-yl]pyridine-3-carboxamide;dihydrochloride (CID 70440699) is N-[(2S)-1-[[(2S)-1-[[(3S,4S)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-3-hydroxy-6-methyl-1-oxoheptan-4-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-naphthalen-1-yl-1-oxopropan-2-yl]pyridine-3-carboxamide;dihydrochloride.

What is the SMILES notation for N-[(2S)-1-[[(2S)-1-[[(3S,4S)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-3-hydroxy-6-methyl-1-oxoheptan-4-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-naphthalen-1-yl-1-oxopropan-2-yl]pyridine-3-carboxamide;dihydrochloride?

The canonical SMILES for N-[(2S)-1-[[(2S)-1-[[(3S,4S)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-3-hydroxy-6-methyl-1-oxoheptan-4-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-naphthalen-1-yl-1-oxopropan-2-yl]pyridine-3-carboxamide;dihydrochloride is CC(C)C[C@H](NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)c1cccnc1)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](CCCCN)C(N)=O.Cl.Cl.

What is the InChIKey of N-[(2S)-1-[[(2S)-1-[[(3S,4S)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-3-hydroxy-6-methyl-1-oxoheptan-4-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-naphthalen-1-yl-1-oxopropan-2-yl]pyridine-3-carboxamide;dihydrochloride?

The InChIKey is FVCLPRYWFNWXPE-AVEXNAMASA-N. The full InChI is InChI=1S/C39H55N7O6.2ClH/c1-24(2)19-31(34(47)22-35(48)43-30(36(41)49)16-7-8-17-40)44-38(51)32(20-25(3)4)46-39(52)33(45-37(50)28-14-10-18-42-23-28)21-27-13-9-12-26-11-5-6-15-29(26)27;;/h5-6,9-15,18,23-25,30-34,47H,7-8,16-17,19-22,40H2,1-4H3,(H2,41,49)(H,43,48)(H,44,51)(H,45,50)(H,46,52);2*1H/t30-,31-,32-,33-,34-;;/m0../s1.

What are the key properties of N-[(2S)-1-[[(2S)-1-[[(3S,4S)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-3-hydroxy-6-methyl-1-oxoheptan-4-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-naphthalen-1-yl-1-oxopropan-2-yl]pyridine-3-carboxamide;dihydrochloride?

N-[(2S)-1-[[(2S)-1-[[(3S,4S)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-3-hydroxy-6-methyl-1-oxoheptan-4-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-naphthalen-1-yl-1-oxopropan-2-yl]pyridine-3-carboxamide;dihydrochloride has a molecular weight of 790.83 g/mol, XLogP of 3.33, 21 rotatable bonds, 7 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-1-[[(2S)-1-[[(3S,4S)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-3-hydroxy-6-methyl-1-oxoheptan-4-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-naphthalen-1-yl-1-oxopropan-2-yl]pyridine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 70440699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).