(2R)-2,6-diamino-N-[(2R)-1-[[(2R)-1-[[(2R)-1-[[(1R)-2-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-2-oxo-1-phenylethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]hexanamide

C37H56N8O6 — CID 10233833

About (2R)-2,6-diamino-N-[(2R)-1-[[(2R)-1-[[(2R)-1-[[(1R)-2-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-2-oxo-1-phenylethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]hexanamide

(2R)-2,6-diamino-N-[(2R)-1-[[(2R)-1-[[(2R)-1-[[(1R)-2-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-2-oxo-1-phenylethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]hexanamide (PubChem CID 10233833) has the molecular formula C37H56N8O6 and a molecular weight of 708.91 g/mol. Its IUPAC name is (2R)-2,6-diamino-N-[(2R)-1-[[(2R)-1-[[(2R)-1-[[(1R)-2-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-2-oxo-1-phenylethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]hexanamide.

Molecular Properties

• Compound Name: (2R)-2,6-diamino-N-[(2R)-1-[[(2R)-1-[[(2R)-1-[[(1R)-2-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-2-oxo-1-phenylethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]hexanamide
• PubChem CID: 10233833
• Molecular Formula: C37H56N8O6
• Molecular Weight: 708.91 g/mol
• Exact Mass: 708.43
• IUPAC Name: (2R)-2,6-diamino-N-[(2R)-1-[[(2R)-1-[[(2R)-1-[[(1R)-2-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-2-oxo-1-phenylethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]hexanamide
• SMILES: CC(C)C[C@@H](NC(=O)[C@H](N)CCCCN)C(=O)N[C@@H](C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](C(=O)N[C@H](C)C(N)=O)c1ccccc1)C(C)C
• InChI: InChI=1S/C37H56N8O6/c1-22(2)20-28(42-33(47)27(39)18-12-13-19-38)34(48)44-30(23(3)4)36(50)43-29(21-25-14-8-6-9-15-25)35(49)45-31(26-16-10-7-11-17-26)37(51)41-24(5)32(40)46/h6-11,14-17,22-24,27-31H,12-13,18-21,38-39H2,1-5H3,(H2,40,46)(H,41,51)(H,42,47)(H,43,50)(H,44,48)(H,45,49)/t24-,27-,28-,29-,30-,31-/m1/s1
• InChIKey: MZLNIWBYYWTWBS-KYKMVOJGSA-N
• XLogP: 0.69
• TPSA: 240.63 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 8
• Rotatable Bonds: 21
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	708.91
LogP ≤ 5	0.69
H-Bond Donors ≤ 5	8
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 (2R)-2,6-diamino-N-[(2R)-1-[[(2R)-1-[[(2R)-1-[[(1R)-2-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-2-oxo-1-phenylethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]hexanamide?

The IUPAC name of (2R)-2,6-diamino-N-[(2R)-1-[[(2R)-1-[[(2R)-1-[[(1R)-2-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-2-oxo-1-phenylethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]hexanamide (CID 10233833) is (2R)-2,6-diamino-N-[(2R)-1-[[(2R)-1-[[(2R)-1-[[(1R)-2-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-2-oxo-1-phenylethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]hexanamide.

What is the SMILES notation for (2R)-2,6-diamino-N-[(2R)-1-[[(2R)-1-[[(2R)-1-[[(1R)-2-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-2-oxo-1-phenylethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]hexanamide?

The canonical SMILES for (2R)-2,6-diamino-N-[(2R)-1-[[(2R)-1-[[(2R)-1-[[(1R)-2-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-2-oxo-1-phenylethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]hexanamide is CC(C)C[C@@H](NC(=O)[C@H](N)CCCCN)C(=O)N[C@@H](C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](C(=O)N[C@H](C)C(N)=O)c1ccccc1)C(C)C.

What is the InChIKey of (2R)-2,6-diamino-N-[(2R)-1-[[(2R)-1-[[(2R)-1-[[(1R)-2-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-2-oxo-1-phenylethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]hexanamide?

The InChIKey is MZLNIWBYYWTWBS-KYKMVOJGSA-N. The full InChI is InChI=1S/C37H56N8O6/c1-22(2)20-28(42-33(47)27(39)18-12-13-19-38)34(48)44-30(23(3)4)36(50)43-29(21-25-14-8-6-9-15-25)35(49)45-31(26-16-10-7-11-17-26)37(51)41-24(5)32(40)46/h6-11,14-17,22-24,27-31H,12-13,18-21,38-39H2,1-5H3,(H2,40,46)(H,41,51)(H,42,47)(H,43,50)(H,44,48)(H,45,49)/t24-,27-,28-,29-,30-,31-/m1/s1.

What are the key properties of (2R)-2,6-diamino-N-[(2R)-1-[[(2R)-1-[[(2R)-1-[[(1R)-2-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-2-oxo-1-phenylethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]hexanamide?

(2R)-2,6-diamino-N-[(2R)-1-[[(2R)-1-[[(2R)-1-[[(1R)-2-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-2-oxo-1-phenylethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]hexanamide has a molecular weight of 708.91 g/mol, XLogP of 0.69, 21 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2,6-diamino-N-[(2R)-1-[[(2R)-1-[[(2R)-1-[[(1R)-2-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-2-oxo-1-phenylethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]hexanamide is sourced from PubChem (CID 10233833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).