(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-6-amino-2-[[(2R)-6-amino-2-[[(2R)-2-aminobutanoyl]amino]hexanoyl]amino]hexanoyl]amino]pent-4-enoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoic acid

C36H60N8O8 — CID 167088088

About (2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-6-amino-2-[[(2R)-6-amino-2-[[(2R)-2-aminobutanoyl]amino]hexanoyl]amino]hexanoyl]amino]pent-4-enoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoic acid

(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-6-amino-2-[[(2R)-6-amino-2-[[(2R)-2-aminobutanoyl]amino]hexanoyl]amino]hexanoyl]amino]pent-4-enoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoic acid (PubChem CID 167088088) has the molecular formula C36H60N8O8 and a molecular weight of 732.92 g/mol. Its IUPAC name is (2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-6-amino-2-[[(2R)-6-amino-2-[[(2R)-2-aminobutanoyl]amino]hexanoyl]amino]hexanoyl]amino]pent-4-enoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoic acid.

Molecular Properties

• Compound Name: (2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-6-amino-2-[[(2R)-6-amino-2-[[(2R)-2-aminobutanoyl]amino]hexanoyl]amino]hexanoyl]amino]pent-4-enoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoic acid
• PubChem CID: 167088088
• Molecular Formula: C36H60N8O8
• Molecular Weight: 732.92 g/mol
• Exact Mass: 732.45
• IUPAC Name: (2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-6-amino-2-[[(2R)-6-amino-2-[[(2R)-2-aminobutanoyl]amino]hexanoyl]amino]hexanoyl]amino]pent-4-enoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoic acid
• SMILES: C=CC[C@@H](NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](N)CC)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](CC(C)C)C(=O)O
• InChI: InChI=1S/C36H60N8O8/c1-5-11-26(32(47)43-29(21-23-14-16-24(45)17-15-23)35(50)44-30(36(51)52)20-22(3)4)41-34(49)28(13-8-10-19-38)42-33(48)27(12-7-9-18-37)40-31(46)25(39)6-2/h5,14-17,22,25-30,45H,1,6-13,18-21,37-39H2,2-4H3,(H,40,46)(H,41,49)(H,42,48)(H,43,47)(H,44,50)(H,51,52)/t25-,26-,27-,28-,29-,30-/m1/s1
• InChIKey: NIOCDWLUBCTRMT-VHNXJUCRSA-N
• XLogP: 0.06
• TPSA: 281.09 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 10
• Rotatable Bonds: 26
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	732.92
LogP ≤ 5	0.06
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-6-amino-2-[[(2R)-6-amino-2-[[(2R)-2-aminobutanoyl]amino]hexanoyl]amino]hexanoyl]amino]pent-4-enoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoic acid?

The IUPAC name of (2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-6-amino-2-[[(2R)-6-amino-2-[[(2R)-2-aminobutanoyl]amino]hexanoyl]amino]hexanoyl]amino]pent-4-enoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoic acid (CID 167088088) is (2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-6-amino-2-[[(2R)-6-amino-2-[[(2R)-2-aminobutanoyl]amino]hexanoyl]amino]hexanoyl]amino]pent-4-enoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoic acid.

What is the SMILES notation for (2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-6-amino-2-[[(2R)-6-amino-2-[[(2R)-2-aminobutanoyl]amino]hexanoyl]amino]hexanoyl]amino]pent-4-enoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoic acid?

The canonical SMILES for (2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-6-amino-2-[[(2R)-6-amino-2-[[(2R)-2-aminobutanoyl]amino]hexanoyl]amino]hexanoyl]amino]pent-4-enoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoic acid is C=CC[C@@H](NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](N)CC)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](CC(C)C)C(=O)O.

What is the InChIKey of (2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-6-amino-2-[[(2R)-6-amino-2-[[(2R)-2-aminobutanoyl]amino]hexanoyl]amino]hexanoyl]amino]pent-4-enoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoic acid?

The InChIKey is NIOCDWLUBCTRMT-VHNXJUCRSA-N. The full InChI is InChI=1S/C36H60N8O8/c1-5-11-26(32(47)43-29(21-23-14-16-24(45)17-15-23)35(50)44-30(36(51)52)20-22(3)4)41-34(49)28(13-8-10-19-38)42-33(48)27(12-7-9-18-37)40-31(46)25(39)6-2/h5,14-17,22,25-30,45H,1,6-13,18-21,37-39H2,2-4H3,(H,40,46)(H,41,49)(H,42,48)(H,43,47)(H,44,50)(H,51,52)/t25-,26-,27-,28-,29-,30-/m1/s1.

What are the key properties of (2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-6-amino-2-[[(2R)-6-amino-2-[[(2R)-2-aminobutanoyl]amino]hexanoyl]amino]hexanoyl]amino]pent-4-enoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoic acid?

(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-6-amino-2-[[(2R)-6-amino-2-[[(2R)-2-aminobutanoyl]amino]hexanoyl]amino]hexanoyl]amino]pent-4-enoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoic acid has a molecular weight of 732.92 g/mol, XLogP of 0.06, 26 rotatable bonds, 10 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-6-amino-2-[[(2R)-6-amino-2-[[(2R)-2-aminobutanoyl]amino]hexanoyl]amino]hexanoyl]amino]pent-4-enoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 167088088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).