2-methylpropyl N-[(1S)-1-cyclohexyl-2-[[(2S)-3-cyclopropyl-1-[[1-cyclopropyl-4-[[2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-3,4-dioxobutan-2-yl]amino]-1-oxopropan-2-yl]-methylamino]-2-oxoethyl]carbamate

C39H58N6O8 — CID 11571291

About 2-methylpropyl N-[(1S)-1-cyclohexyl-2-[[(2S)-3-cyclopropyl-1-[[1-cyclopropyl-4-[[2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-3,4-dioxobutan-2-yl]amino]-1-oxopropan-2-yl]-methylamino]-2-oxoethyl]carbamate

2-methylpropyl N-[(1S)-1-cyclohexyl-2-[[(2S)-3-cyclopropyl-1-[[1-cyclopropyl-4-[[2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-3,4-dioxobutan-2-yl]amino]-1-oxopropan-2-yl]-methylamino]-2-oxoethyl]carbamate (PubChem CID 11571291) has the molecular formula C39H58N6O8 and a molecular weight of 738.93 g/mol. Its IUPAC name is 2-methylpropyl N-[(1S)-1-cyclohexyl-2-[[(2S)-3-cyclopropyl-1-[[1-cyclopropyl-4-[[2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-3,4-dioxobutan-2-yl]amino]-1-oxopropan-2-yl]-methylamino]-2-oxoethyl]carbamate.

Molecular Properties

• Compound Name: 2-methylpropyl N-[(1S)-1-cyclohexyl-2-[[(2S)-3-cyclopropyl-1-[[1-cyclopropyl-4-[[2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-3,4-dioxobutan-2-yl]amino]-1-oxopropan-2-yl]-methylamino]-2-oxoethyl]carbamate
• PubChem CID: 11571291
• Molecular Formula: C39H58N6O8
• Molecular Weight: 738.93 g/mol
• Exact Mass: 738.43
• IUPAC Name: 2-methylpropyl N-[(1S)-1-cyclohexyl-2-[[(2S)-3-cyclopropyl-1-[[1-cyclopropyl-4-[[2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-3,4-dioxobutan-2-yl]amino]-1-oxopropan-2-yl]-methylamino]-2-oxoethyl]carbamate
• SMILES: CC(C)COC(=O)N[C@H](C(=O)N(C)[C@@H](CC1CC1)C(=O)NC(CC1CC1)C(=O)C(=O)NCC(=O)N[C@H](C(=O)N(C)C)c1ccccc1)C1CCCCC1
• InChI: InChI=1S/C39H58N6O8/c1-24(2)23-53-39(52)43-33(28-14-10-7-11-15-28)38(51)45(5)30(21-26-18-19-26)35(48)41-29(20-25-16-17-25)34(47)36(49)40-22-31(46)42-32(37(50)44(3)4)27-12-8-6-9-13-27/h6,8-9,12-13,24-26,28-30,32-33H,7,10-11,14-23H2,1-5H3,(H,40,49)(H,41,48)(H,42,46)(H,43,52)/t29?,30-,32-,33-/m0/s1
• InChIKey: ZPKDOCXSELIIGV-OMVUIKPJSA-N
• XLogP: 2.86
• TPSA: 183.32 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 19
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	738.93
LogP ≤ 5	2.86
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-[(1S)-1-cyclohexyl-2-[[(2S)-3-cyclopropyl-1-[[1-cyclopropyl-4-[[2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-3,4-dioxobutan-2-yl]amino]-1-oxopropan-2-yl]-methylamino]-2-oxoethyl]carbamate?

The IUPAC name of 2-methylpropyl N-[(1S)-1-cyclohexyl-2-[[(2S)-3-cyclopropyl-1-[[1-cyclopropyl-4-[[2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-3,4-dioxobutan-2-yl]amino]-1-oxopropan-2-yl]-methylamino]-2-oxoethyl]carbamate (CID 11571291) is 2-methylpropyl N-[(1S)-1-cyclohexyl-2-[[(2S)-3-cyclopropyl-1-[[1-cyclopropyl-4-[[2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-3,4-dioxobutan-2-yl]amino]-1-oxopropan-2-yl]-methylamino]-2-oxoethyl]carbamate.

What is the SMILES notation for 2-methylpropyl N-[(1S)-1-cyclohexyl-2-[[(2S)-3-cyclopropyl-1-[[1-cyclopropyl-4-[[2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-3,4-dioxobutan-2-yl]amino]-1-oxopropan-2-yl]-methylamino]-2-oxoethyl]carbamate?

The canonical SMILES for 2-methylpropyl N-[(1S)-1-cyclohexyl-2-[[(2S)-3-cyclopropyl-1-[[1-cyclopropyl-4-[[2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-3,4-dioxobutan-2-yl]amino]-1-oxopropan-2-yl]-methylamino]-2-oxoethyl]carbamate is CC(C)COC(=O)N[C@H](C(=O)N(C)[C@@H](CC1CC1)C(=O)NC(CC1CC1)C(=O)C(=O)NCC(=O)N[C@H](C(=O)N(C)C)c1ccccc1)C1CCCCC1.

What is the InChIKey of 2-methylpropyl N-[(1S)-1-cyclohexyl-2-[[(2S)-3-cyclopropyl-1-[[1-cyclopropyl-4-[[2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-3,4-dioxobutan-2-yl]amino]-1-oxopropan-2-yl]-methylamino]-2-oxoethyl]carbamate?

The InChIKey is ZPKDOCXSELIIGV-OMVUIKPJSA-N. The full InChI is InChI=1S/C39H58N6O8/c1-24(2)23-53-39(52)43-33(28-14-10-7-11-15-28)38(51)45(5)30(21-26-18-19-26)35(48)41-29(20-25-16-17-25)34(47)36(49)40-22-31(46)42-32(37(50)44(3)4)27-12-8-6-9-13-27/h6,8-9,12-13,24-26,28-30,32-33H,7,10-11,14-23H2,1-5H3,(H,40,49)(H,41,48)(H,42,46)(H,43,52)/t29?,30-,32-,33-/m0/s1.

What are the key properties of 2-methylpropyl N-[(1S)-1-cyclohexyl-2-[[(2S)-3-cyclopropyl-1-[[1-cyclopropyl-4-[[2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-3,4-dioxobutan-2-yl]amino]-1-oxopropan-2-yl]-methylamino]-2-oxoethyl]carbamate?

2-methylpropyl N-[(1S)-1-cyclohexyl-2-[[(2S)-3-cyclopropyl-1-[[1-cyclopropyl-4-[[2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-3,4-dioxobutan-2-yl]amino]-1-oxopropan-2-yl]-methylamino]-2-oxoethyl]carbamate has a molecular weight of 738.93 g/mol, XLogP of 2.86, 19 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methylpropyl N-[(1S)-1-cyclohexyl-2-[[(2S)-3-cyclopropyl-1-[[1-cyclopropyl-4-[[2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-3,4-dioxobutan-2-yl]amino]-1-oxopropan-2-yl]-methylamino]-2-oxoethyl]carbamate is sourced from PubChem (CID 11571291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).