sodium 2-[[2-[[2-[[2-[[2-[(2-acetamido-3,3-diphenylpropanoyl)amino]-4-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoate

C50H64N7NaO10 — CID 23689708

About sodium 2-[[2-[[2-[[2-[[2-[(2-acetamido-3,3-diphenylpropanoyl)amino]-4-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoate

sodium 2-[[2-[[2-[[2-[[2-[(2-acetamido-3,3-diphenylpropanoyl)amino]-4-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoate (PubChem CID 23689708) has the molecular formula C50H64N7NaO10 and a molecular weight of 946.09 g/mol. Its IUPAC name is sodium 2-[[2-[[2-[[2-[[2-[(2-acetamido-3,3-diphenylpropanoyl)amino]-4-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoate.

Molecular Properties

• Compound Name: sodium 2-[[2-[[2-[[2-[[2-[(2-acetamido-3,3-diphenylpropanoyl)amino]-4-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoate
• PubChem CID: 23689708
• Molecular Formula: C50H64N7NaO10
• Molecular Weight: 946.09 g/mol
• Exact Mass: 945.46
• IUPAC Name: sodium 2-[[2-[[2-[[2-[[2-[(2-acetamido-3,3-diphenylpropanoyl)amino]-4-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoate
• SMILES: CCC(C)C(NC(=O)C(CC(=O)O)NC(=O)C(CC(C)C)NC(=O)C(NC(C)=O)C(c1ccccc1)c1ccccc1)C(=O)NC(C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)[O-])C(C)CC.[Na+]
• InChI: InChI=1S/C50H65N7O10.Na/c1-8-29(5)42(47(63)55-39(50(66)67)25-34-27-51-36-23-17-16-22-35(34)36)57-48(64)43(30(6)9-2)56-46(62)38(26-40(59)60)53-45(61)37(24-28(3)4)54-49(65)44(52-31(7)58)41(32-18-12-10-13-19-32)33-20-14-11-15-21-33;/h10-23,27-30,37-39,41-44,51H,8-9,24-26H2,1-7H3,(H,52,58)(H,53,61)(H,54,65)(H,55,63)(H,56,62)(H,57,64)(H,59,60)(H,66,67);/q;+1/p-1
• InChIKey: KSNHYDPJQIQXDI-UHFFFAOYSA-M
• XLogP: -0.16
• TPSA: 267.82 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 9
• Rotatable Bonds: 25
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	946.09
LogP ≤ 5	-0.16
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of sodium 2-[[2-[[2-[[2-[[2-[(2-acetamido-3,3-diphenylpropanoyl)amino]-4-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoate?

The IUPAC name of sodium 2-[[2-[[2-[[2-[[2-[(2-acetamido-3,3-diphenylpropanoyl)amino]-4-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoate (CID 23689708) is sodium 2-[[2-[[2-[[2-[[2-[(2-acetamido-3,3-diphenylpropanoyl)amino]-4-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoate.

What is the SMILES notation for sodium 2-[[2-[[2-[[2-[[2-[(2-acetamido-3,3-diphenylpropanoyl)amino]-4-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoate?

The canonical SMILES for sodium 2-[[2-[[2-[[2-[[2-[(2-acetamido-3,3-diphenylpropanoyl)amino]-4-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoate is CCC(C)C(NC(=O)C(CC(=O)O)NC(=O)C(CC(C)C)NC(=O)C(NC(C)=O)C(c1ccccc1)c1ccccc1)C(=O)NC(C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)[O-])C(C)CC.[Na+].

What is the InChIKey of sodium 2-[[2-[[2-[[2-[[2-[(2-acetamido-3,3-diphenylpropanoyl)amino]-4-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoate?

The InChIKey is KSNHYDPJQIQXDI-UHFFFAOYSA-M. The full InChI is InChI=1S/C50H65N7O10.Na/c1-8-29(5)42(47(63)55-39(50(66)67)25-34-27-51-36-23-17-16-22-35(34)36)57-48(64)43(30(6)9-2)56-46(62)38(26-40(59)60)53-45(61)37(24-28(3)4)54-49(65)44(52-31(7)58)41(32-18-12-10-13-19-32)33-20-14-11-15-21-33;/h10-23,27-30,37-39,41-44,51H,8-9,24-26H2,1-7H3,(H,52,58)(H,53,61)(H,54,65)(H,55,63)(H,56,62)(H,57,64)(H,59,60)(H,66,67);/q;+1/p-1.

What are the key properties of sodium 2-[[2-[[2-[[2-[[2-[(2-acetamido-3,3-diphenylpropanoyl)amino]-4-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoate?

sodium 2-[[2-[[2-[[2-[[2-[(2-acetamido-3,3-diphenylpropanoyl)amino]-4-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoate has a molecular weight of 946.09 g/mol, XLogP of -0.16, 25 rotatable bonds, 8 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for sodium 2-[[2-[[2-[[2-[[2-[(2-acetamido-3,3-diphenylpropanoyl)amino]-4-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoate is sourced from PubChem (CID 23689708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).