(2S)-5-amino-2-[[(2S)-2-[[(2R)-2-aminopropanoyl]amino]-4-phenylbutanoyl]amino]-N-phenylpentanamide

C24H33N5O3 — CID 73354605

IUPAC(2S)-5-amino-2-[[(2S)-2-[[(2R)-2-aminopropanoyl]amino]-4-phenylbutanoyl]amino]-N-phenylpentanamide
SMILESC[C@@H](N)C(=O)N[C@@H](CCc1ccccc1)C(=O)N[C@@H](CCCN)C(=O)Nc1ccccc1
InChIInChI=1S/C24H33N5O3/c1-17(26)22(30)28-21(15-14-18-9-4-2-5-10-18)24(32)29-20(13-8-16-25)23(31)27-19-11-6-3-7-12-19/h2-7,9-12,17,20-21H,8,13-16,25-26H2,1H3,(H,27,31)(H,28,30)(H,29,32)/t17-,20+,21+/m1/s1
InChIKeyCDMKWESEIDQQND-QMMLZNLJSA-N
MW439.56 g/mol
LogP1.31
Rot. Bonds12

About (2S)-5-amino-2-[[(2S)-2-[[(2R)-2-aminopropanoyl]amino]-4-phenylbutanoyl]amino]-N-phenylpentanamide

(2S)-5-amino-2-[[(2S)-2-[[(2R)-2-aminopropanoyl]amino]-4-phenylbutanoyl]amino]-N-phenylpentanamide (PubChem CID 73354605) has the molecular formula C24H33N5O3 and a molecular weight of 439.56 g/mol. Its IUPAC name is (2S)-5-amino-2-[[(2S)-2-[[(2R)-2-aminopropanoyl]amino]-4-phenylbutanoyl]amino]-N-phenylpentanamide.

Molecular Properties

Compound Name(2S)-5-amino-2-[[(2S)-2-[[(2R)-2-aminopropanoyl]amino]-4-phenylbutanoyl]amino]-N-phenylpentanamide
PubChem CID73354605
Molecular FormulaC24H33N5O3
Molecular Weight439.56 g/mol
Exact Mass439.26
IUPAC Name(2S)-5-amino-2-[[(2S)-2-[[(2R)-2-aminopropanoyl]amino]-4-phenylbutanoyl]amino]-N-phenylpentanamide
SMILESC[C@@H](N)C(=O)N[C@@H](CCc1ccccc1)C(=O)N[C@@H](CCCN)C(=O)Nc1ccccc1
InChIInChI=1S/C24H33N5O3/c1-17(26)22(30)28-21(15-14-18-9-4-2-5-10-18)24(32)29-20(13-8-16-25)23(31)27-19-11-6-3-7-12-19/h2-7,9-12,17,20-21H,8,13-16,25-26H2,1H3,(H,27,31)(H,28,30)(H,29,32)/t17-,20+,21+/m1/s1
InChIKeyCDMKWESEIDQQND-QMMLZNLJSA-N
XLogP1.31
TPSA139.34 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 51.31
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-5-amino-2-[[(2S)-2-[[(2R)-2-aminopropanoyl]amino]-4-phenylbutanoyl]amino]-N-phenylpentanamide?
The IUPAC name of (2S)-5-amino-2-[[(2S)-2-[[(2R)-2-aminopropanoyl]amino]-4-phenylbutanoyl]amino]-N-phenylpentanamide (CID 73354605) is (2S)-5-amino-2-[[(2S)-2-[[(2R)-2-aminopropanoyl]amino]-4-phenylbutanoyl]amino]-N-phenylpentanamide.
What is the SMILES notation for (2S)-5-amino-2-[[(2S)-2-[[(2R)-2-aminopropanoyl]amino]-4-phenylbutanoyl]amino]-N-phenylpentanamide?
The canonical SMILES for (2S)-5-amino-2-[[(2S)-2-[[(2R)-2-aminopropanoyl]amino]-4-phenylbutanoyl]amino]-N-phenylpentanamide is C[C@@H](N)C(=O)N[C@@H](CCc1ccccc1)C(=O)N[C@@H](CCCN)C(=O)Nc1ccccc1.
What is the InChIKey of (2S)-5-amino-2-[[(2S)-2-[[(2R)-2-aminopropanoyl]amino]-4-phenylbutanoyl]amino]-N-phenylpentanamide?
The InChIKey is CDMKWESEIDQQND-QMMLZNLJSA-N. The full InChI is InChI=1S/C24H33N5O3/c1-17(26)22(30)28-21(15-14-18-9-4-2-5-10-18)24(32)29-20(13-8-16-25)23(31)27-19-11-6-3-7-12-19/h2-7,9-12,17,20-21H,8,13-16,25-26H2,1H3,(H,27,31)(H,28,30)(H,29,32)/t17-,20+,21+/m1/s1.
What are the key properties of (2S)-5-amino-2-[[(2S)-2-[[(2R)-2-aminopropanoyl]amino]-4-phenylbutanoyl]amino]-N-phenylpentanamide?
(2S)-5-amino-2-[[(2S)-2-[[(2R)-2-aminopropanoyl]amino]-4-phenylbutanoyl]amino]-N-phenylpentanamide has a molecular weight of 439.56 g/mol, XLogP of 1.31, 12 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-amino-2-[[(2S)-2-[[(2R)-2-aminopropanoyl]amino]-4-phenylbutanoyl]amino]-N-phenylpentanamide is sourced from PubChem (CID 73354605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).