2-methylpropyl N-[1-cyclohexyl-2-[[1-[[1,2-dioxo-1-[[2-oxo-2-[(2-oxo-1-phenylpropyl)amino]ethyl]amino]hexan-3-yl]amino]-3-methylsulfonyl-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamate

C34H51N5O10S — CID 59918541

About 2-methylpropyl N-[1-cyclohexyl-2-[[1-[[1,2-dioxo-1-[[2-oxo-2-[(2-oxo-1-phenylpropyl)amino]ethyl]amino]hexan-3-yl]amino]-3-methylsulfonyl-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamate

2-methylpropyl N-[1-cyclohexyl-2-[[1-[[1,2-dioxo-1-[[2-oxo-2-[(2-oxo-1-phenylpropyl)amino]ethyl]amino]hexan-3-yl]amino]-3-methylsulfonyl-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamate (PubChem CID 59918541) has the molecular formula C34H51N5O10S and a molecular weight of 721.87 g/mol. Its IUPAC name is 2-methylpropyl N-[1-cyclohexyl-2-[[1-[[1,2-dioxo-1-[[2-oxo-2-[(2-oxo-1-phenylpropyl)amino]ethyl]amino]hexan-3-yl]amino]-3-methylsulfonyl-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamate.

Molecular Properties

• Compound Name: 2-methylpropyl N-[1-cyclohexyl-2-[[1-[[1,2-dioxo-1-[[2-oxo-2-[(2-oxo-1-phenylpropyl)amino]ethyl]amino]hexan-3-yl]amino]-3-methylsulfonyl-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamate
• PubChem CID: 59918541
• Molecular Formula: C34H51N5O10S
• Molecular Weight: 721.87 g/mol
• Exact Mass: 721.34
• IUPAC Name: 2-methylpropyl N-[1-cyclohexyl-2-[[1-[[1,2-dioxo-1-[[2-oxo-2-[(2-oxo-1-phenylpropyl)amino]ethyl]amino]hexan-3-yl]amino]-3-methylsulfonyl-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamate
• SMILES: CCCC(NC(=O)C(CS(C)(=O)=O)NC(=O)C(NC(=O)OCC(C)C)C1CCCCC1)C(=O)C(=O)NCC(=O)NC(C(C)=O)c1ccccc1
• InChI: InChI=1S/C34H51N5O10S/c1-6-13-25(30(42)33(45)35-18-27(41)38-28(22(4)40)23-14-9-7-10-15-23)36-31(43)26(20-50(5,47)48)37-32(44)29(24-16-11-8-12-17-24)39-34(46)49-19-21(2)3/h7,9-10,14-15,21,24-26,28-29H,6,8,11-13,16-20H2,1-5H3,(H,35,45)(H,36,43)(H,37,44)(H,38,41)(H,39,46)
• InChIKey: RBAPXWKIWKBFKM-UHFFFAOYSA-N
• XLogP: 1.26
• TPSA: 223.01 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 10
• Rotatable Bonds: 19
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	721.87
LogP ≤ 5	1.26
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-[1-cyclohexyl-2-[[1-[[1,2-dioxo-1-[[2-oxo-2-[(2-oxo-1-phenylpropyl)amino]ethyl]amino]hexan-3-yl]amino]-3-methylsulfonyl-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamate?

The IUPAC name of 2-methylpropyl N-[1-cyclohexyl-2-[[1-[[1,2-dioxo-1-[[2-oxo-2-[(2-oxo-1-phenylpropyl)amino]ethyl]amino]hexan-3-yl]amino]-3-methylsulfonyl-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamate (CID 59918541) is 2-methylpropyl N-[1-cyclohexyl-2-[[1-[[1,2-dioxo-1-[[2-oxo-2-[(2-oxo-1-phenylpropyl)amino]ethyl]amino]hexan-3-yl]amino]-3-methylsulfonyl-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamate.

What is the SMILES notation for 2-methylpropyl N-[1-cyclohexyl-2-[[1-[[1,2-dioxo-1-[[2-oxo-2-[(2-oxo-1-phenylpropyl)amino]ethyl]amino]hexan-3-yl]amino]-3-methylsulfonyl-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamate?

The canonical SMILES for 2-methylpropyl N-[1-cyclohexyl-2-[[1-[[1,2-dioxo-1-[[2-oxo-2-[(2-oxo-1-phenylpropyl)amino]ethyl]amino]hexan-3-yl]amino]-3-methylsulfonyl-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamate is CCCC(NC(=O)C(CS(C)(=O)=O)NC(=O)C(NC(=O)OCC(C)C)C1CCCCC1)C(=O)C(=O)NCC(=O)NC(C(C)=O)c1ccccc1.

What is the InChIKey of 2-methylpropyl N-[1-cyclohexyl-2-[[1-[[1,2-dioxo-1-[[2-oxo-2-[(2-oxo-1-phenylpropyl)amino]ethyl]amino]hexan-3-yl]amino]-3-methylsulfonyl-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamate?

The InChIKey is RBAPXWKIWKBFKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H51N5O10S/c1-6-13-25(30(42)33(45)35-18-27(41)38-28(22(4)40)23-14-9-7-10-15-23)36-31(43)26(20-50(5,47)48)37-32(44)29(24-16-11-8-12-17-24)39-34(46)49-19-21(2)3/h7,9-10,14-15,21,24-26,28-29H,6,8,11-13,16-20H2,1-5H3,(H,35,45)(H,36,43)(H,37,44)(H,38,41)(H,39,46).

What are the key properties of 2-methylpropyl N-[1-cyclohexyl-2-[[1-[[1,2-dioxo-1-[[2-oxo-2-[(2-oxo-1-phenylpropyl)amino]ethyl]amino]hexan-3-yl]amino]-3-methylsulfonyl-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamate?

2-methylpropyl N-[1-cyclohexyl-2-[[1-[[1,2-dioxo-1-[[2-oxo-2-[(2-oxo-1-phenylpropyl)amino]ethyl]amino]hexan-3-yl]amino]-3-methylsulfonyl-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamate has a molecular weight of 721.87 g/mol, XLogP of 1.26, 19 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methylpropyl N-[1-cyclohexyl-2-[[1-[[1,2-dioxo-1-[[2-oxo-2-[(2-oxo-1-phenylpropyl)amino]ethyl]amino]hexan-3-yl]amino]-3-methylsulfonyl-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamate is sourced from PubChem (CID 59918541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).