(2S)-N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-1-[(2R)-2-aminopropanoyl]pyrrolidine-2-carboxamide

C26H33N5O4 — CID 46229263

IUPAC(2S)-N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-1-[(2R)-2-aminopropanoyl]pyrrolidine-2-carboxamide
SMILESC[C@@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
InChIInChI=1S/C26H33N5O4/c1-17(27)26(35)31-14-8-13-22(31)25(34)30-21(16-19-11-6-3-7-12-19)24(33)29-20(23(28)32)15-18-9-4-2-5-10-18/h2-7,9-12,17,20-22H,8,13-16,27H2,1H3,(H2,28,32)(H,29,33)(H,30,34)/t17-,20+,21+,22+/m1/s1
InChIKeyPYBNVPBCTAEKPN-MNAPGUCWSA-N
MW479.58 g/mol
LogP0.26
Rot. Bonds10

About (2S)-N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-1-[(2R)-2-aminopropanoyl]pyrrolidine-2-carboxamide

(2S)-N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-1-[(2R)-2-aminopropanoyl]pyrrolidine-2-carboxamide (PubChem CID 46229263) has the molecular formula C26H33N5O4 and a molecular weight of 479.58 g/mol. Its IUPAC name is (2S)-N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-1-[(2R)-2-aminopropanoyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-1-[(2R)-2-aminopropanoyl]pyrrolidine-2-carboxamide
PubChem CID46229263
Molecular FormulaC26H33N5O4
Molecular Weight479.58 g/mol
Exact Mass479.25
IUPAC Name(2S)-N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-1-[(2R)-2-aminopropanoyl]pyrrolidine-2-carboxamide
SMILESC[C@@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
InChIInChI=1S/C26H33N5O4/c1-17(27)26(35)31-14-8-13-22(31)25(34)30-21(16-19-11-6-3-7-12-19)24(33)29-20(23(28)32)15-18-9-4-2-5-10-18/h2-7,9-12,17,20-22H,8,13-16,27H2,1H3,(H2,28,32)(H,29,33)(H,30,34)/t17-,20+,21+,22+/m1/s1
InChIKeyPYBNVPBCTAEKPN-MNAPGUCWSA-N
XLogP0.26
TPSA147.62 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.58
LogP ≤ 50.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze (2S)-N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-1-[(2R)-2-aminopropanoyl]pyrrolidine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-1-[(2R)-2-aminopropanoyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-1-[(2R)-2-aminopropanoyl]pyrrolidine-2-carboxamide (CID 46229263) is (2S)-N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-1-[(2R)-2-aminopropanoyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-1-[(2R)-2-aminopropanoyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-1-[(2R)-2-aminopropanoyl]pyrrolidine-2-carboxamide is C[C@@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O.
What is the InChIKey of (2S)-N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-1-[(2R)-2-aminopropanoyl]pyrrolidine-2-carboxamide?
The InChIKey is PYBNVPBCTAEKPN-MNAPGUCWSA-N. The full InChI is InChI=1S/C26H33N5O4/c1-17(27)26(35)31-14-8-13-22(31)25(34)30-21(16-19-11-6-3-7-12-19)24(33)29-20(23(28)32)15-18-9-4-2-5-10-18/h2-7,9-12,17,20-22H,8,13-16,27H2,1H3,(H2,28,32)(H,29,33)(H,30,34)/t17-,20+,21+,22+/m1/s1.
What are the key properties of (2S)-N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-1-[(2R)-2-aminopropanoyl]pyrrolidine-2-carboxamide?
(2S)-N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-1-[(2R)-2-aminopropanoyl]pyrrolidine-2-carboxamide has a molecular weight of 479.58 g/mol, XLogP of 0.26, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-1-[(2R)-2-aminopropanoyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 46229263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).