2-[[(2R)-2-[[2-[[2-[[2-[[(2R)-2-[(2-aminoacetyl)amino]-3-sulfanylpropanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-3-sulfanylpropanoyl]amino]acetic acid

C16H27N7O8S2 — CID 102355585

About 2-[[(2R)-2-[[2-[[2-[[2-[[(2R)-2-[(2-aminoacetyl)amino]-3-sulfanylpropanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-3-sulfanylpropanoyl]amino]acetic acid

2-[[(2R)-2-[[2-[[2-[[2-[[(2R)-2-[(2-aminoacetyl)amino]-3-sulfanylpropanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-3-sulfanylpropanoyl]amino]acetic acid (PubChem CID 102355585) has the molecular formula C16H27N7O8S2 and a molecular weight of 509.57 g/mol. Its IUPAC name is 2-[[(2R)-2-[[2-[[2-[[2-[[(2R)-2-[(2-aminoacetyl)amino]-3-sulfanylpropanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-3-sulfanylpropanoyl]amino]acetic acid.

Molecular Properties

• Compound Name: 2-[[(2R)-2-[[2-[[2-[[2-[[(2R)-2-[(2-aminoacetyl)amino]-3-sulfanylpropanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-3-sulfanylpropanoyl]amino]acetic acid
• PubChem CID: 102355585
• Molecular Formula: C16H27N7O8S2
• Molecular Weight: 509.57 g/mol
• Exact Mass: 509.14
• IUPAC Name: 2-[[(2R)-2-[[2-[[2-[[2-[[(2R)-2-[(2-aminoacetyl)amino]-3-sulfanylpropanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-3-sulfanylpropanoyl]amino]acetic acid
• SMILES: NCC(=O)N[C@@H](CS)C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CS)C(=O)NCC(=O)O
• InChI: InChI=1S/C16H27N7O8S2/c17-1-10(24)22-8(6-32)15(30)20-3-12(26)18-2-11(25)19-4-13(27)23-9(7-33)16(31)21-5-14(28)29/h8-9,32-33H,1-7,17H2,(H,18,26)(H,19,25)(H,20,30)(H,21,31)(H,22,24)(H,23,27)(H,28,29)/t8-,9-/m0/s1
• InChIKey: KYPKZVRJPLFNON-IUCAKERBSA-N
• XLogP: -5.68
• TPSA: 237.92 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 10
• Rotatable Bonds: 15
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	509.57
LogP ≤ 5	-5.68
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-2-[[2-[[2-[[2-[[(2R)-2-[(2-aminoacetyl)amino]-3-sulfanylpropanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-3-sulfanylpropanoyl]amino]acetic acid?

The IUPAC name of 2-[[(2R)-2-[[2-[[2-[[2-[[(2R)-2-[(2-aminoacetyl)amino]-3-sulfanylpropanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-3-sulfanylpropanoyl]amino]acetic acid (CID 102355585) is 2-[[(2R)-2-[[2-[[2-[[2-[[(2R)-2-[(2-aminoacetyl)amino]-3-sulfanylpropanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-3-sulfanylpropanoyl]amino]acetic acid.

What is the SMILES notation for 2-[[(2R)-2-[[2-[[2-[[2-[[(2R)-2-[(2-aminoacetyl)amino]-3-sulfanylpropanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-3-sulfanylpropanoyl]amino]acetic acid?

The canonical SMILES for 2-[[(2R)-2-[[2-[[2-[[2-[[(2R)-2-[(2-aminoacetyl)amino]-3-sulfanylpropanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-3-sulfanylpropanoyl]amino]acetic acid is NCC(=O)N[C@@H](CS)C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CS)C(=O)NCC(=O)O.

What is the InChIKey of 2-[[(2R)-2-[[2-[[2-[[2-[[(2R)-2-[(2-aminoacetyl)amino]-3-sulfanylpropanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-3-sulfanylpropanoyl]amino]acetic acid?

The InChIKey is KYPKZVRJPLFNON-IUCAKERBSA-N. The full InChI is InChI=1S/C16H27N7O8S2/c17-1-10(24)22-8(6-32)15(30)20-3-12(26)18-2-11(25)19-4-13(27)23-9(7-33)16(31)21-5-14(28)29/h8-9,32-33H,1-7,17H2,(H,18,26)(H,19,25)(H,20,30)(H,21,31)(H,22,24)(H,23,27)(H,28,29)/t8-,9-/m0/s1.

What are the key properties of 2-[[(2R)-2-[[2-[[2-[[2-[[(2R)-2-[(2-aminoacetyl)amino]-3-sulfanylpropanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-3-sulfanylpropanoyl]amino]acetic acid?

2-[[(2R)-2-[[2-[[2-[[2-[[(2R)-2-[(2-aminoacetyl)amino]-3-sulfanylpropanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-3-sulfanylpropanoyl]amino]acetic acid has a molecular weight of 509.57 g/mol, XLogP of -5.68, 15 rotatable bonds, 10 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[(2R)-2-[[2-[[2-[[2-[[(2R)-2-[(2-aminoacetyl)amino]-3-sulfanylpropanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-3-sulfanylpropanoyl]amino]acetic acid is sourced from PubChem (CID 102355585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).