N-[(2S)-1-[[(2S)-3-cyclohexyl-1-oxo-1-[[(2S)-1-oxo-4-[(3R)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]propan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]quinoline-2-carboxamide

C32H43N5O5 — CID 170264280

About N-[(2S)-1-[[(2S)-3-cyclohexyl-1-oxo-1-[[(2S)-1-oxo-4-[(3R)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]propan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]quinoline-2-carboxamide

N-[(2S)-1-[[(2S)-3-cyclohexyl-1-oxo-1-[[(2S)-1-oxo-4-[(3R)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]propan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]quinoline-2-carboxamide (PubChem CID 170264280) has the molecular formula C32H43N5O5 and a molecular weight of 577.73 g/mol. Its IUPAC name is N-[(2S)-1-[[(2S)-3-cyclohexyl-1-oxo-1-[[(2S)-1-oxo-4-[(3R)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]propan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]quinoline-2-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-1-[[(2S)-3-cyclohexyl-1-oxo-1-[[(2S)-1-oxo-4-[(3R)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]propan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]quinoline-2-carboxamide
• PubChem CID: 170264280
• Molecular Formula: C32H43N5O5
• Molecular Weight: 577.73 g/mol
• Exact Mass: 577.33
• IUPAC Name: N-[(2S)-1-[[(2S)-3-cyclohexyl-1-oxo-1-[[(2S)-1-oxo-4-[(3R)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]propan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]quinoline-2-carboxamide
• SMILES: CC(C)[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H](C=O)CC[C@@H]1CCNC1=O
• InChI: InChI=1S/C32H43N5O5/c1-20(2)28(37-30(40)26-15-13-22-10-6-7-11-25(22)35-26)32(42)36-27(18-21-8-4-3-5-9-21)31(41)34-24(19-38)14-12-23-16-17-33-29(23)39/h6-7,10-11,13,15,19-21,23-24,27-28H,3-5,8-9,12,14,16-18H2,1-2H3,(H,33,39)(H,34,41)(H,36,42)(H,37,40)/t23-,24+,27+,28+/m1/s1
• InChIKey: ZBECLESGHIITGD-JGPKDBRGSA-N
• XLogP: 3.04
• TPSA: 146.36 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 13
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	577.73
LogP ≤ 5	3.04
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[[(2S)-3-cyclohexyl-1-oxo-1-[[(2S)-1-oxo-4-[(3R)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]propan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]quinoline-2-carboxamide?

The IUPAC name of N-[(2S)-1-[[(2S)-3-cyclohexyl-1-oxo-1-[[(2S)-1-oxo-4-[(3R)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]propan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]quinoline-2-carboxamide (CID 170264280) is N-[(2S)-1-[[(2S)-3-cyclohexyl-1-oxo-1-[[(2S)-1-oxo-4-[(3R)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]propan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]quinoline-2-carboxamide.

What is the SMILES notation for N-[(2S)-1-[[(2S)-3-cyclohexyl-1-oxo-1-[[(2S)-1-oxo-4-[(3R)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]propan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]quinoline-2-carboxamide?

The canonical SMILES for N-[(2S)-1-[[(2S)-3-cyclohexyl-1-oxo-1-[[(2S)-1-oxo-4-[(3R)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]propan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]quinoline-2-carboxamide is CC(C)[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H](C=O)CC[C@@H]1CCNC1=O.

What is the InChIKey of N-[(2S)-1-[[(2S)-3-cyclohexyl-1-oxo-1-[[(2S)-1-oxo-4-[(3R)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]propan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]quinoline-2-carboxamide?

The InChIKey is ZBECLESGHIITGD-JGPKDBRGSA-N. The full InChI is InChI=1S/C32H43N5O5/c1-20(2)28(37-30(40)26-15-13-22-10-6-7-11-25(22)35-26)32(42)36-27(18-21-8-4-3-5-9-21)31(41)34-24(19-38)14-12-23-16-17-33-29(23)39/h6-7,10-11,13,15,19-21,23-24,27-28H,3-5,8-9,12,14,16-18H2,1-2H3,(H,33,39)(H,34,41)(H,36,42)(H,37,40)/t23-,24+,27+,28+/m1/s1.

What are the key properties of N-[(2S)-1-[[(2S)-3-cyclohexyl-1-oxo-1-[[(2S)-1-oxo-4-[(3R)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]propan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]quinoline-2-carboxamide?

N-[(2S)-1-[[(2S)-3-cyclohexyl-1-oxo-1-[[(2S)-1-oxo-4-[(3R)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]propan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]quinoline-2-carboxamide has a molecular weight of 577.73 g/mol, XLogP of 3.04, 13 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-1-[[(2S)-3-cyclohexyl-1-oxo-1-[[(2S)-1-oxo-4-[(3R)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]propan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]quinoline-2-carboxamide is sourced from PubChem (CID 170264280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).