2-methylpropyl N-[(1S)-2-[[(2S)-1-[[1-[[2-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-cyclohexyl-2-oxoethyl]carbamate

C32H56N6O8 — CID 6481510

IUPAC2-methylpropyl N-[(1S)-2-[[(2S)-1-[[1-[[2-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-cyclohexyl-2-oxoethyl]carbamate
SMILESCCCC(NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)OCC(C)C)C1CCCCC1)C(=O)C(=O)NCC(=O)N[C@H](C(N)=O)C(C)C
InChIInChI=1S/C32H56N6O8/c1-8-12-22(27(40)31(44)34-16-24(39)37-25(20(6)7)28(33)41)35-29(42)23(15-18(2)3)36-30(43)26(21-13-10-9-11-14-21)38-32(45)46-17-19(4)5/h18-23,25-26H,8-17H2,1-7H3,(H2,33,41)(H,34,44)(H,35,42)(H,36,43)(H,37,39)(H,38,45)/t22?,23-,25-,26-/m0/s1
InChIKeyHCSNCGDKWJLMMB-UASABWJQSA-N
MW652.83 g/mol
LogP1.44
Rot. Bonds19

About 2-methylpropyl N-[(1S)-2-[[(2S)-1-[[1-[[2-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-cyclohexyl-2-oxoethyl]carbamate

2-methylpropyl N-[(1S)-2-[[(2S)-1-[[1-[[2-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-cyclohexyl-2-oxoethyl]carbamate (PubChem CID 6481510) has the molecular formula C32H56N6O8 and a molecular weight of 652.83 g/mol. Its IUPAC name is 2-methylpropyl N-[(1S)-2-[[(2S)-1-[[1-[[2-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-cyclohexyl-2-oxoethyl]carbamate.

Molecular Properties

Compound Name2-methylpropyl N-[(1S)-2-[[(2S)-1-[[1-[[2-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-cyclohexyl-2-oxoethyl]carbamate
PubChem CID6481510
Molecular FormulaC32H56N6O8
Molecular Weight652.83 g/mol
Exact Mass652.42
IUPAC Name2-methylpropyl N-[(1S)-2-[[(2S)-1-[[1-[[2-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-cyclohexyl-2-oxoethyl]carbamate
SMILESCCCC(NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)OCC(C)C)C1CCCCC1)C(=O)C(=O)NCC(=O)N[C@H](C(N)=O)C(C)C
InChIInChI=1S/C32H56N6O8/c1-8-12-22(27(40)31(44)34-16-24(39)37-25(20(6)7)28(33)41)35-29(42)23(15-18(2)3)36-30(43)26(21-13-10-9-11-14-21)38-32(45)46-17-19(4)5/h18-23,25-26H,8-17H2,1-7H3,(H2,33,41)(H,34,44)(H,35,42)(H,36,43)(H,37,39)(H,38,45)/t22?,23-,25-,26-/m0/s1
InChIKeyHCSNCGDKWJLMMB-UASABWJQSA-N
XLogP1.44
TPSA214.89 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds19
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.83
LogP ≤ 51.44
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-methylpropyl N-[(1S)-2-[[(2S)-1-[[1-[[2-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-cyclohexyl-2-oxoethyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-[(1S)-2-[[(2S)-1-[[1-[[2-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-cyclohexyl-2-oxoethyl]carbamate?
The IUPAC name of 2-methylpropyl N-[(1S)-2-[[(2S)-1-[[1-[[2-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-cyclohexyl-2-oxoethyl]carbamate (CID 6481510) is 2-methylpropyl N-[(1S)-2-[[(2S)-1-[[1-[[2-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-cyclohexyl-2-oxoethyl]carbamate.
What is the SMILES notation for 2-methylpropyl N-[(1S)-2-[[(2S)-1-[[1-[[2-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-cyclohexyl-2-oxoethyl]carbamate?
The canonical SMILES for 2-methylpropyl N-[(1S)-2-[[(2S)-1-[[1-[[2-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-cyclohexyl-2-oxoethyl]carbamate is CCCC(NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)OCC(C)C)C1CCCCC1)C(=O)C(=O)NCC(=O)N[C@H](C(N)=O)C(C)C.
What is the InChIKey of 2-methylpropyl N-[(1S)-2-[[(2S)-1-[[1-[[2-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-cyclohexyl-2-oxoethyl]carbamate?
The InChIKey is HCSNCGDKWJLMMB-UASABWJQSA-N. The full InChI is InChI=1S/C32H56N6O8/c1-8-12-22(27(40)31(44)34-16-24(39)37-25(20(6)7)28(33)41)35-29(42)23(15-18(2)3)36-30(43)26(21-13-10-9-11-14-21)38-32(45)46-17-19(4)5/h18-23,25-26H,8-17H2,1-7H3,(H2,33,41)(H,34,44)(H,35,42)(H,36,43)(H,37,39)(H,38,45)/t22?,23-,25-,26-/m0/s1.
What are the key properties of 2-methylpropyl N-[(1S)-2-[[(2S)-1-[[1-[[2-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-cyclohexyl-2-oxoethyl]carbamate?
2-methylpropyl N-[(1S)-2-[[(2S)-1-[[1-[[2-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-cyclohexyl-2-oxoethyl]carbamate has a molecular weight of 652.83 g/mol, XLogP of 1.44, 19 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-[(1S)-2-[[(2S)-1-[[1-[[2-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-cyclohexyl-2-oxoethyl]carbamate is sourced from PubChem (CID 6481510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).