N-[(2S)-1-[[(2S)-4-(benzylamino)-3,4-dioxo-1-(2-oxoimidazolidin-1-yl)butan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-indole-2-carboxamide

C30H34N6O6 — CID 169306716

About N-[(2S)-1-[[(2S)-4-(benzylamino)-3,4-dioxo-1-(2-oxoimidazolidin-1-yl)butan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-indole-2-carboxamide

N-[(2S)-1-[[(2S)-4-(benzylamino)-3,4-dioxo-1-(2-oxoimidazolidin-1-yl)butan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-indole-2-carboxamide (PubChem CID 169306716) has the molecular formula C30H34N6O6 and a molecular weight of 574.64 g/mol. Its IUPAC name is N-[(2S)-1-[[(2S)-4-(benzylamino)-3,4-dioxo-1-(2-oxoimidazolidin-1-yl)butan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-indole-2-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-1-[[(2S)-4-(benzylamino)-3,4-dioxo-1-(2-oxoimidazolidin-1-yl)butan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-indole-2-carboxamide
• PubChem CID: 169306716
• Molecular Formula: C30H34N6O6
• Molecular Weight: 574.64 g/mol
• Exact Mass: 574.25
• IUPAC Name: N-[(2S)-1-[[(2S)-4-(benzylamino)-3,4-dioxo-1-(2-oxoimidazolidin-1-yl)butan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-indole-2-carboxamide
• SMILES: COc1cccc2[nH]c(C(=O)N[C@@H](CC3CC3)C(=O)N[C@@H](CN3CCNC3=O)C(=O)C(=O)NCc3ccccc3)cc12
• InChI: InChI=1S/C30H34N6O6/c1-42-25-9-5-8-21-20(25)15-23(33-21)28(39)34-22(14-18-10-11-18)27(38)35-24(17-36-13-12-31-30(36)41)26(37)29(40)32-16-19-6-3-2-4-7-19/h2-9,15,18,22,24,33H,10-14,16-17H2,1H3,(H,31,41)(H,32,40)(H,34,39)(H,35,38)/t22-,24-/m0/s1
• InChIKey: CCWVKKIBXJMHMN-UPVQGACJSA-N
• XLogP: 1.47
• TPSA: 161.73 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	574.64
LogP ≤ 5	1.47
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[[(2S)-4-(benzylamino)-3,4-dioxo-1-(2-oxoimidazolidin-1-yl)butan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-indole-2-carboxamide?

The IUPAC name of N-[(2S)-1-[[(2S)-4-(benzylamino)-3,4-dioxo-1-(2-oxoimidazolidin-1-yl)butan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-indole-2-carboxamide (CID 169306716) is N-[(2S)-1-[[(2S)-4-(benzylamino)-3,4-dioxo-1-(2-oxoimidazolidin-1-yl)butan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-indole-2-carboxamide.

What is the SMILES notation for N-[(2S)-1-[[(2S)-4-(benzylamino)-3,4-dioxo-1-(2-oxoimidazolidin-1-yl)butan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-indole-2-carboxamide?

The canonical SMILES for N-[(2S)-1-[[(2S)-4-(benzylamino)-3,4-dioxo-1-(2-oxoimidazolidin-1-yl)butan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-indole-2-carboxamide is COc1cccc2[nH]c(C(=O)N[C@@H](CC3CC3)C(=O)N[C@@H](CN3CCNC3=O)C(=O)C(=O)NCc3ccccc3)cc12.

What is the InChIKey of N-[(2S)-1-[[(2S)-4-(benzylamino)-3,4-dioxo-1-(2-oxoimidazolidin-1-yl)butan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-indole-2-carboxamide?

The InChIKey is CCWVKKIBXJMHMN-UPVQGACJSA-N. The full InChI is InChI=1S/C30H34N6O6/c1-42-25-9-5-8-21-20(25)15-23(33-21)28(39)34-22(14-18-10-11-18)27(38)35-24(17-36-13-12-31-30(36)41)26(37)29(40)32-16-19-6-3-2-4-7-19/h2-9,15,18,22,24,33H,10-14,16-17H2,1H3,(H,31,41)(H,32,40)(H,34,39)(H,35,38)/t22-,24-/m0/s1.

What are the key properties of N-[(2S)-1-[[(2S)-4-(benzylamino)-3,4-dioxo-1-(2-oxoimidazolidin-1-yl)butan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-indole-2-carboxamide?

N-[(2S)-1-[[(2S)-4-(benzylamino)-3,4-dioxo-1-(2-oxoimidazolidin-1-yl)butan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-indole-2-carboxamide has a molecular weight of 574.64 g/mol, XLogP of 1.47, 13 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-1-[[(2S)-4-(benzylamino)-3,4-dioxo-1-(2-oxoimidazolidin-1-yl)butan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-indole-2-carboxamide is sourced from PubChem (CID 169306716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).