(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-cyclopropylpropanoyl]amino]propanoic acid

C19H34N4O5 — CID 162675864

IUPAC(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-cyclopropylpropanoyl]amino]propanoic acid
SMILESCC(C)[C@H](N)C(=O)N[C@H](C(=O)N[C@@H](CC1CC1)C(=O)N[C@@H](C)C(=O)O)C(C)C
InChIInChI=1S/C19H34N4O5/c1-9(2)14(20)17(25)23-15(10(3)4)18(26)22-13(8-12-6-7-12)16(24)21-11(5)19(27)28/h9-15H,6-8,20H2,1-5H3,(H,21,24)(H,22,26)(H,23,25)(H,27,28)/t11-,13-,14-,15-/m0/s1
InChIKeyZMISPLKCKBKEAD-MXAVVETBSA-N
MW398.50 g/mol
LogP-0.02
Rot. Bonds11

About (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-cyclopropylpropanoyl]amino]propanoic acid

(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-cyclopropylpropanoyl]amino]propanoic acid (PubChem CID 162675864) has the molecular formula C19H34N4O5 and a molecular weight of 398.50 g/mol. Its IUPAC name is (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-cyclopropylpropanoyl]amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-cyclopropylpropanoyl]amino]propanoic acid
PubChem CID162675864
Molecular FormulaC19H34N4O5
Molecular Weight398.50 g/mol
Exact Mass398.25
IUPAC Name(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-cyclopropylpropanoyl]amino]propanoic acid
SMILESCC(C)[C@H](N)C(=O)N[C@H](C(=O)N[C@@H](CC1CC1)C(=O)N[C@@H](C)C(=O)O)C(C)C
InChIInChI=1S/C19H34N4O5/c1-9(2)14(20)17(25)23-15(10(3)4)18(26)22-13(8-12-6-7-12)16(24)21-11(5)19(27)28/h9-15H,6-8,20H2,1-5H3,(H,21,24)(H,22,26)(H,23,25)(H,27,28)/t11-,13-,14-,15-/m0/s1
InChIKeyZMISPLKCKBKEAD-MXAVVETBSA-N
XLogP-0.02
TPSA150.62 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 5-0.02
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-cyclopropylpropanoyl]amino]propanoic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-cyclopropylpropanoyl]amino]propanoic acid?
The IUPAC name of (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-cyclopropylpropanoyl]amino]propanoic acid (CID 162675864) is (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-cyclopropylpropanoyl]amino]propanoic acid.
What is the SMILES notation for (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-cyclopropylpropanoyl]amino]propanoic acid?
The canonical SMILES for (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-cyclopropylpropanoyl]amino]propanoic acid is CC(C)[C@H](N)C(=O)N[C@H](C(=O)N[C@@H](CC1CC1)C(=O)N[C@@H](C)C(=O)O)C(C)C.
What is the InChIKey of (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-cyclopropylpropanoyl]amino]propanoic acid?
The InChIKey is ZMISPLKCKBKEAD-MXAVVETBSA-N. The full InChI is InChI=1S/C19H34N4O5/c1-9(2)14(20)17(25)23-15(10(3)4)18(26)22-13(8-12-6-7-12)16(24)21-11(5)19(27)28/h9-15H,6-8,20H2,1-5H3,(H,21,24)(H,22,26)(H,23,25)(H,27,28)/t11-,13-,14-,15-/m0/s1.
What are the key properties of (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-cyclopropylpropanoyl]amino]propanoic acid?
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-cyclopropylpropanoyl]amino]propanoic acid has a molecular weight of 398.50 g/mol, XLogP of -0.02, 11 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-cyclopropylpropanoyl]amino]propanoic acid is sourced from PubChem (CID 162675864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).