tert-butyl N-[(2R)-1-[(3-cyclopentyl-1H-indole-2-carbonyl)amino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-tri(propan-2-yl)silyloxybutan-2-yl]carbamate

C37H62N4O6Si — CID 171762465

IUPACtert-butyl N-[(2R)-1-[(3-cyclopentyl-1H-indole-2-carbonyl)amino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-tri(propan-2-yl)silyloxybutan-2-yl]carbamate
SMILESCC(C)[Si](OC(CNC(=O)OC(C)(C)C)[C@@H](CNC(=O)c1[nH]c2ccccc2c1C1CCCC1)NC(=O)OC(C)(C)C)(C(C)C)C(C)C
InChIInChI=1S/C37H62N4O6Si/c1-23(2)48(24(3)4,25(5)6)47-30(22-39-34(43)45-36(7,8)9)29(41-35(44)46-37(10,11)12)21-38-33(42)32-31(26-17-13-14-18-26)27-19-15-16-20-28(27)40-32/h15-16,19-20,23-26,29-30,40H,13-14,17-18,21-22H2,1-12H3,(H,38,42)(H,39,43)(H,41,44)/t29-,30?/m1/s1
InChIKeyMKKJJTGVPBAXLZ-IDCGIGBZSA-N
MW687.01 g/mol
LogP8.53
Rot. Bonds13

About tert-butyl N-[(2R)-1-[(3-cyclopentyl-1H-indole-2-carbonyl)amino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-tri(propan-2-yl)silyloxybutan-2-yl]carbamate

tert-butyl N-[(2R)-1-[(3-cyclopentyl-1H-indole-2-carbonyl)amino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-tri(propan-2-yl)silyloxybutan-2-yl]carbamate (PubChem CID 171762465) has the molecular formula C37H62N4O6Si and a molecular weight of 687.01 g/mol. Its IUPAC name is tert-butyl N-[(2R)-1-[(3-cyclopentyl-1H-indole-2-carbonyl)amino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-tri(propan-2-yl)silyloxybutan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-1-[(3-cyclopentyl-1H-indole-2-carbonyl)amino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-tri(propan-2-yl)silyloxybutan-2-yl]carbamate
PubChem CID171762465
Molecular FormulaC37H62N4O6Si
Molecular Weight687.01 g/mol
Exact Mass686.44
IUPAC Nametert-butyl N-[(2R)-1-[(3-cyclopentyl-1H-indole-2-carbonyl)amino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-tri(propan-2-yl)silyloxybutan-2-yl]carbamate
SMILESCC(C)[Si](OC(CNC(=O)OC(C)(C)C)[C@@H](CNC(=O)c1[nH]c2ccccc2c1C1CCCC1)NC(=O)OC(C)(C)C)(C(C)C)C(C)C
InChIInChI=1S/C37H62N4O6Si/c1-23(2)48(24(3)4,25(5)6)47-30(22-39-34(43)45-36(7,8)9)29(41-35(44)46-37(10,11)12)21-38-33(42)32-31(26-17-13-14-18-26)27-19-15-16-20-28(27)40-32/h15-16,19-20,23-26,29-30,40H,13-14,17-18,21-22H2,1-12H3,(H,38,42)(H,39,43)(H,41,44)/t29-,30?/m1/s1
InChIKeyMKKJJTGVPBAXLZ-IDCGIGBZSA-N
XLogP8.53
TPSA130.78 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500687.01
LogP ≤ 58.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze tert-butyl N-[(2R)-1-[(3-cyclopentyl-1H-indole-2-carbonyl)amino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-tri(propan-2-yl)silyloxybutan-2-yl]carbamate with MolForge

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

Launch Full Analysis

Related Compounds

tert-butyl N-[(2S)-1-[[3-(4-fluorophenyl)-1H-indole-2-carbonyl]amino]-3-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentan-2-yl]carbamate
CID 166873095
tert-butyl N-[(2S)-5-amino-1-[[3-cyclopropyl-6-(4-fluorophenyl)-1H-indole-2-carbonyl]amino]pentan-2-yl]carbamate
CID 142485571
tert-butyl N-[(4S)-5-[[3-(4-fluorophenyl)-1H-indole-2-carbonyl]amino]-2-hydroxy-4-methylpentyl]carbamate
CID 175625877
3-[1,2-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1H-indole-2-carboxylic acid
CID 170832944
tert-butyl N-[(2-benzoyl-1H-indol-3-yl)methyl]carbamate
CID 70124222
3-(2-methoxycarbonyl-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 170880636
tert-butyl N-[(2R)-3-methyl-1-[(2-phenylacetyl)amino]butan-2-yl]carbamate
CID 86611436
tert-butyl N-[[(1R,2R,3R)-3-[[(5-fluoro-3-phenyl-1H-indole-2-carbonyl)amino]methyl]-2-hydroxycyclopentyl]methyl]carbamate
CID 175625984
cyclohexyl 2-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1H-indol-2-yl]acetate
CID 171483504
3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]-1H-indole-2-carboxylic acid
CID 169468300
tert-butyl N-[3-[[4-(1-methoxyethenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbonyl]amino]propyl]carbamate
CID 145012257
methyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylcarbamoyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-4-carboxylate
CID 118868560

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-1-[(3-cyclopentyl-1H-indole-2-carbonyl)amino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-tri(propan-2-yl)silyloxybutan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-1-[(3-cyclopentyl-1H-indole-2-carbonyl)amino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-tri(propan-2-yl)silyloxybutan-2-yl]carbamate (CID 171762465) is tert-butyl N-[(2R)-1-[(3-cyclopentyl-1H-indole-2-carbonyl)amino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-tri(propan-2-yl)silyloxybutan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-1-[(3-cyclopentyl-1H-indole-2-carbonyl)amino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-tri(propan-2-yl)silyloxybutan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-1-[(3-cyclopentyl-1H-indole-2-carbonyl)amino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-tri(propan-2-yl)silyloxybutan-2-yl]carbamate is CC(C)[Si](OC(CNC(=O)OC(C)(C)C)[C@@H](CNC(=O)c1[nH]c2ccccc2c1C1CCCC1)NC(=O)OC(C)(C)C)(C(C)C)C(C)C.
What is the InChIKey of tert-butyl N-[(2R)-1-[(3-cyclopentyl-1H-indole-2-carbonyl)amino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-tri(propan-2-yl)silyloxybutan-2-yl]carbamate?
The InChIKey is MKKJJTGVPBAXLZ-IDCGIGBZSA-N. The full InChI is InChI=1S/C37H62N4O6Si/c1-23(2)48(24(3)4,25(5)6)47-30(22-39-34(43)45-36(7,8)9)29(41-35(44)46-37(10,11)12)21-38-33(42)32-31(26-17-13-14-18-26)27-19-15-16-20-28(27)40-32/h15-16,19-20,23-26,29-30,40H,13-14,17-18,21-22H2,1-12H3,(H,38,42)(H,39,43)(H,41,44)/t29-,30?/m1/s1.
What are the key properties of tert-butyl N-[(2R)-1-[(3-cyclopentyl-1H-indole-2-carbonyl)amino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-tri(propan-2-yl)silyloxybutan-2-yl]carbamate?
tert-butyl N-[(2R)-1-[(3-cyclopentyl-1H-indole-2-carbonyl)amino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-tri(propan-2-yl)silyloxybutan-2-yl]carbamate has a molecular weight of 687.01 g/mol, XLogP of 8.53, 13 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-1-[(3-cyclopentyl-1H-indole-2-carbonyl)amino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-tri(propan-2-yl)silyloxybutan-2-yl]carbamate is sourced from PubChem (CID 171762465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).