(2S,4R)-1-[(2S)-2-[[(2R)-2-methylbutanoyl]amino]-3-phenylpropanoyl]-4-propan-2-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide

C32H43N3O3 — CID 148760681

About (2S,4R)-1-[(2S)-2-[[(2R)-2-methylbutanoyl]amino]-3-phenylpropanoyl]-4-propan-2-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide

(2S,4R)-1-[(2S)-2-[[(2R)-2-methylbutanoyl]amino]-3-phenylpropanoyl]-4-propan-2-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide (PubChem CID 148760681) has the molecular formula C32H43N3O3 and a molecular weight of 517.71 g/mol. Its IUPAC name is (2S,4R)-1-[(2S)-2-[[(2R)-2-methylbutanoyl]amino]-3-phenylpropanoyl]-4-propan-2-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: (2S,4R)-1-[(2S)-2-[[(2R)-2-methylbutanoyl]amino]-3-phenylpropanoyl]-4-propan-2-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide
• PubChem CID: 148760681
• Molecular Formula: C32H43N3O3
• Molecular Weight: 517.71 g/mol
• Exact Mass: 517.33
• IUPAC Name: (2S,4R)-1-[(2S)-2-[[(2R)-2-methylbutanoyl]amino]-3-phenylpropanoyl]-4-propan-2-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide
• SMILES: CC[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1C[C@@H](C(C)C)C[C@H]1C(=O)N[C@@H]1CCCc2ccccc21
• InChI: InChI=1S/C32H43N3O3/c1-5-22(4)30(36)34-28(18-23-12-7-6-8-13-23)32(38)35-20-25(21(2)3)19-29(35)31(37)33-27-17-11-15-24-14-9-10-16-26(24)27/h6-10,12-14,16,21-22,25,27-29H,5,11,15,17-20H2,1-4H3,(H,33,37)(H,34,36)/t22-,25+,27-,28+,29+/m1/s1
• InChIKey: OGMOPDCNGHKRBJ-OLMVTEPOSA-N
• XLogP: 4.83
• TPSA: 78.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	517.71
LogP ≤ 5	4.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-1-[(2S)-2-[[(2R)-2-methylbutanoyl]amino]-3-phenylpropanoyl]-4-propan-2-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide?

The IUPAC name of (2S,4R)-1-[(2S)-2-[[(2R)-2-methylbutanoyl]amino]-3-phenylpropanoyl]-4-propan-2-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide (CID 148760681) is (2S,4R)-1-[(2S)-2-[[(2R)-2-methylbutanoyl]amino]-3-phenylpropanoyl]-4-propan-2-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide.

What is the SMILES notation for (2S,4R)-1-[(2S)-2-[[(2R)-2-methylbutanoyl]amino]-3-phenylpropanoyl]-4-propan-2-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide?

The canonical SMILES for (2S,4R)-1-[(2S)-2-[[(2R)-2-methylbutanoyl]amino]-3-phenylpropanoyl]-4-propan-2-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide is CC[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1C[C@@H](C(C)C)C[C@H]1C(=O)N[C@@H]1CCCc2ccccc21.

What is the InChIKey of (2S,4R)-1-[(2S)-2-[[(2R)-2-methylbutanoyl]amino]-3-phenylpropanoyl]-4-propan-2-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide?

The InChIKey is OGMOPDCNGHKRBJ-OLMVTEPOSA-N. The full InChI is InChI=1S/C32H43N3O3/c1-5-22(4)30(36)34-28(18-23-12-7-6-8-13-23)32(38)35-20-25(21(2)3)19-29(35)31(37)33-27-17-11-15-24-14-9-10-16-26(24)27/h6-10,12-14,16,21-22,25,27-29H,5,11,15,17-20H2,1-4H3,(H,33,37)(H,34,36)/t22-,25+,27-,28+,29+/m1/s1.

What are the key properties of (2S,4R)-1-[(2S)-2-[[(2R)-2-methylbutanoyl]amino]-3-phenylpropanoyl]-4-propan-2-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide?

(2S,4R)-1-[(2S)-2-[[(2R)-2-methylbutanoyl]amino]-3-phenylpropanoyl]-4-propan-2-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide has a molecular weight of 517.71 g/mol, XLogP of 4.83, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,4R)-1-[(2S)-2-[[(2R)-2-methylbutanoyl]amino]-3-phenylpropanoyl]-4-propan-2-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 148760681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).