N-[2-[[(2S)-1-[[2-[[(2S)-1-[[(3S)-1-amino-3-hydroxy-1-oxobutan-2-yl]amino]-6-[ethyl(propan-2-yl)amino]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]cyclohexanecarboxamide

C29H53N7O7 — CID 166738577

About N-[2-[[(2S)-1-[[2-[[(2S)-1-[[(3S)-1-amino-3-hydroxy-1-oxobutan-2-yl]amino]-6-[ethyl(propan-2-yl)amino]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]cyclohexanecarboxamide

N-[2-[[(2S)-1-[[2-[[(2S)-1-[[(3S)-1-amino-3-hydroxy-1-oxobutan-2-yl]amino]-6-[ethyl(propan-2-yl)amino]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]cyclohexanecarboxamide (PubChem CID 166738577) has the molecular formula C29H53N7O7 and a molecular weight of 611.79 g/mol. Its IUPAC name is N-[2-[[(2S)-1-[[2-[[(2S)-1-[[(3S)-1-amino-3-hydroxy-1-oxobutan-2-yl]amino]-6-[ethyl(propan-2-yl)amino]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]cyclohexanecarboxamide.

Molecular Properties

• Compound Name: N-[2-[[(2S)-1-[[2-[[(2S)-1-[[(3S)-1-amino-3-hydroxy-1-oxobutan-2-yl]amino]-6-[ethyl(propan-2-yl)amino]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]cyclohexanecarboxamide
• PubChem CID: 166738577
• Molecular Formula: C29H53N7O7
• Molecular Weight: 611.79 g/mol
• Exact Mass: 611.40
• IUPAC Name: N-[2-[[(2S)-1-[[2-[[(2S)-1-[[(3S)-1-amino-3-hydroxy-1-oxobutan-2-yl]amino]-6-[ethyl(propan-2-yl)amino]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]cyclohexanecarboxamide
• SMILES: CCN(CCCC[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)CNC(=O)C1CCCCC1)C(=O)NC(C(N)=O)[C@H](C)O)C(C)C
• InChI: InChI=1S/C29H53N7O7/c1-6-36(18(2)3)15-11-10-14-22(29(43)35-25(20(5)37)26(30)40)34-24(39)17-31-27(41)19(4)33-23(38)16-32-28(42)21-12-8-7-9-13-21/h18-22,25,37H,6-17H2,1-5H3,(H2,30,40)(H,31,41)(H,32,42)(H,33,38)(H,34,39)(H,35,43)/t19-,20-,22-,25?/m0/s1
• InChIKey: IGMQBMJZOHFFSO-YDFKZUBFSA-N
• XLogP: -0.96
• TPSA: 212.06 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 8
• Rotatable Bonds: 19
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	611.79
LogP ≤ 5	-0.96
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-[2-[[(2S)-1-[[2-[[(2S)-1-[[(3S)-1-amino-3-hydroxy-1-oxobutan-2-yl]amino]-6-[ethyl(propan-2-yl)amino]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]cyclohexanecarboxamide?

The IUPAC name of N-[2-[[(2S)-1-[[2-[[(2S)-1-[[(3S)-1-amino-3-hydroxy-1-oxobutan-2-yl]amino]-6-[ethyl(propan-2-yl)amino]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]cyclohexanecarboxamide (CID 166738577) is N-[2-[[(2S)-1-[[2-[[(2S)-1-[[(3S)-1-amino-3-hydroxy-1-oxobutan-2-yl]amino]-6-[ethyl(propan-2-yl)amino]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]cyclohexanecarboxamide.

What is the SMILES notation for N-[2-[[(2S)-1-[[2-[[(2S)-1-[[(3S)-1-amino-3-hydroxy-1-oxobutan-2-yl]amino]-6-[ethyl(propan-2-yl)amino]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]cyclohexanecarboxamide?

The canonical SMILES for N-[2-[[(2S)-1-[[2-[[(2S)-1-[[(3S)-1-amino-3-hydroxy-1-oxobutan-2-yl]amino]-6-[ethyl(propan-2-yl)amino]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]cyclohexanecarboxamide is CCN(CCCC[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)CNC(=O)C1CCCCC1)C(=O)NC(C(N)=O)[C@H](C)O)C(C)C.

What is the InChIKey of N-[2-[[(2S)-1-[[2-[[(2S)-1-[[(3S)-1-amino-3-hydroxy-1-oxobutan-2-yl]amino]-6-[ethyl(propan-2-yl)amino]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]cyclohexanecarboxamide?

The InChIKey is IGMQBMJZOHFFSO-YDFKZUBFSA-N. The full InChI is InChI=1S/C29H53N7O7/c1-6-36(18(2)3)15-11-10-14-22(29(43)35-25(20(5)37)26(30)40)34-24(39)17-31-27(41)19(4)33-23(38)16-32-28(42)21-12-8-7-9-13-21/h18-22,25,37H,6-17H2,1-5H3,(H2,30,40)(H,31,41)(H,32,42)(H,33,38)(H,34,39)(H,35,43)/t19-,20-,22-,25?/m0/s1.

What are the key properties of N-[2-[[(2S)-1-[[2-[[(2S)-1-[[(3S)-1-amino-3-hydroxy-1-oxobutan-2-yl]amino]-6-[ethyl(propan-2-yl)amino]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]cyclohexanecarboxamide?

N-[2-[[(2S)-1-[[2-[[(2S)-1-[[(3S)-1-amino-3-hydroxy-1-oxobutan-2-yl]amino]-6-[ethyl(propan-2-yl)amino]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]cyclohexanecarboxamide has a molecular weight of 611.79 g/mol, XLogP of -0.96, 19 rotatable bonds, 7 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[(2S)-1-[[2-[[(2S)-1-[[(3S)-1-amino-3-hydroxy-1-oxobutan-2-yl]amino]-6-[ethyl(propan-2-yl)amino]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]cyclohexanecarboxamide is sourced from PubChem (CID 166738577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).