N-[1-[[(2S)-3-cyclohexyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-5-methoxy-1H-indole-2-carboxamide

C31H43N5O6 — CID 170263677

About N-[1-[[(2S)-3-cyclohexyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-5-methoxy-1H-indole-2-carboxamide

N-[1-[[(2S)-3-cyclohexyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-5-methoxy-1H-indole-2-carboxamide (PubChem CID 170263677) has the molecular formula C31H43N5O6 and a molecular weight of 581.71 g/mol. Its IUPAC name is N-[1-[[(2S)-3-cyclohexyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-5-methoxy-1H-indole-2-carboxamide.

Molecular Properties

• Compound Name: N-[1-[[(2S)-3-cyclohexyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-5-methoxy-1H-indole-2-carboxamide
• PubChem CID: 170263677
• Molecular Formula: C31H43N5O6
• Molecular Weight: 581.71 g/mol
• Exact Mass: 581.32
• IUPAC Name: N-[1-[[(2S)-3-cyclohexyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-5-methoxy-1H-indole-2-carboxamide
• SMILES: COc1ccc2[nH]c(C(=O)NC(C(=O)N[C@@H](CC3CCCCC3)C(=O)N[C@H](C=O)C[C@@H]3CCNC3=O)C(C)C)cc2c1
• InChI: InChI=1S/C31H43N5O6/c1-18(2)27(36-30(40)26-16-21-15-23(42-3)9-10-24(21)34-26)31(41)35-25(13-19-7-5-4-6-8-19)29(39)33-22(17-37)14-20-11-12-32-28(20)38/h9-10,15-20,22,25,27,34H,4-8,11-14H2,1-3H3,(H,32,38)(H,33,39)(H,35,41)(H,36,40)/t20-,22-,25-,27?/m0/s1
• InChIKey: KNOICWOJGLZDRS-RLUMVNDQSA-N
• XLogP: 2.60
• TPSA: 158.49 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 6
• Rotatable Bonds: 13
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	581.71
LogP ≤ 5	2.60
H-Bond Donors ≤ 5	5
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-[1-[[(2S)-3-cyclohexyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-5-methoxy-1H-indole-2-carboxamide?

The IUPAC name of N-[1-[[(2S)-3-cyclohexyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-5-methoxy-1H-indole-2-carboxamide (CID 170263677) is N-[1-[[(2S)-3-cyclohexyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-5-methoxy-1H-indole-2-carboxamide.

What is the SMILES notation for N-[1-[[(2S)-3-cyclohexyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-5-methoxy-1H-indole-2-carboxamide?

The canonical SMILES for N-[1-[[(2S)-3-cyclohexyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-5-methoxy-1H-indole-2-carboxamide is COc1ccc2[nH]c(C(=O)NC(C(=O)N[C@@H](CC3CCCCC3)C(=O)N[C@H](C=O)C[C@@H]3CCNC3=O)C(C)C)cc2c1.

What is the InChIKey of N-[1-[[(2S)-3-cyclohexyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-5-methoxy-1H-indole-2-carboxamide?

The InChIKey is KNOICWOJGLZDRS-RLUMVNDQSA-N. The full InChI is InChI=1S/C31H43N5O6/c1-18(2)27(36-30(40)26-16-21-15-23(42-3)9-10-24(21)34-26)31(41)35-25(13-19-7-5-4-6-8-19)29(39)33-22(17-37)14-20-11-12-32-28(20)38/h9-10,15-20,22,25,27,34H,4-8,11-14H2,1-3H3,(H,32,38)(H,33,39)(H,35,41)(H,36,40)/t20-,22-,25-,27?/m0/s1.

What are the key properties of N-[1-[[(2S)-3-cyclohexyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-5-methoxy-1H-indole-2-carboxamide?

N-[1-[[(2S)-3-cyclohexyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-5-methoxy-1H-indole-2-carboxamide has a molecular weight of 581.71 g/mol, XLogP of 2.60, 13 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[[(2S)-3-cyclohexyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-5-methoxy-1H-indole-2-carboxamide is sourced from PubChem (CID 170263677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).