ethyl 2-[[2-[2-methylpropyl-[2-[[2-[2-methylpropyl-[2-[[2-[2-methylpropyl-[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetate

C36H57N7O10 — CID 25184628

IUPACethyl 2-[[2-[2-methylpropyl-[2-[[2-[2-methylpropyl-[2-[[2-[2-methylpropyl-[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetate
SMILESCCOC(=O)CNC(=O)CN(CC(C)C)C(=O)CNC(=O)CN(CC(C)C)C(=O)CNC(=O)CN(CC(C)C)C(=O)CNC(=O)OCc1ccccc1
InChIInChI=1S/C36H57N7O10/c1-8-52-35(50)17-39-31(46)23-42(19-26(4)5)33(48)15-37-29(44)21-41(18-25(2)3)32(47)14-38-30(45)22-43(20-27(6)7)34(49)16-40-36(51)53-24-28-12-10-9-11-13-28/h9-13,25-27H,8,14-24H2,1-7H3,(H,37,44)(H,38,45)(H,39,46)(H,40,51)
InChIKeyRRBBHGWACXSRFU-UHFFFAOYSA-N
MW747.89 g/mol
LogP0.28
Rot. Bonds23

About ethyl 2-[[2-[2-methylpropyl-[2-[[2-[2-methylpropyl-[2-[[2-[2-methylpropyl-[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetate

ethyl 2-[[2-[2-methylpropyl-[2-[[2-[2-methylpropyl-[2-[[2-[2-methylpropyl-[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetate (PubChem CID 25184628) has the molecular formula C36H57N7O10 and a molecular weight of 747.89 g/mol. Its IUPAC name is ethyl 2-[[2-[2-methylpropyl-[2-[[2-[2-methylpropyl-[2-[[2-[2-methylpropyl-[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-[2-methylpropyl-[2-[[2-[2-methylpropyl-[2-[[2-[2-methylpropyl-[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetate
PubChem CID25184628
Molecular FormulaC36H57N7O10
Molecular Weight747.89 g/mol
Exact Mass747.42
IUPAC Nameethyl 2-[[2-[2-methylpropyl-[2-[[2-[2-methylpropyl-[2-[[2-[2-methylpropyl-[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetate
SMILESCCOC(=O)CNC(=O)CN(CC(C)C)C(=O)CNC(=O)CN(CC(C)C)C(=O)CNC(=O)CN(CC(C)C)C(=O)CNC(=O)OCc1ccccc1
InChIInChI=1S/C36H57N7O10/c1-8-52-35(50)17-39-31(46)23-42(19-26(4)5)33(48)15-37-29(44)21-41(18-25(2)3)32(47)14-38-30(45)22-43(20-27(6)7)34(49)16-40-36(51)53-24-28-12-10-9-11-13-28/h9-13,25-27H,8,14-24H2,1-7H3,(H,37,44)(H,38,45)(H,39,46)(H,40,51)
InChIKeyRRBBHGWACXSRFU-UHFFFAOYSA-N
XLogP0.28
TPSA212.86 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds23
Heavy Atoms53
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500747.89
LogP ≤ 50.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze ethyl 2-[[2-[2-methylpropyl-[2-[[2-[2-methylpropyl-[2-[[2-[2-methylpropyl-[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetate with MolForge

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Related Compounds

2-[carboxymethyl-[2-(phenylmethoxycarbonylamino)acetyl]amino]acetic acid
CID 70865153
ethyl 2-[[2-[2-(phenylmethoxycarbonylamino)propanoylamino]acetyl]amino]acetate
CID 23278167
2-[[2-[2-phenylethyl-[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]acetic acid
CID 53497079
diethyl 2-[2-(phenylmethoxycarbonylamino)acetyl]oxypropanedioate
CID 3059726
2-hydroxypropyl 2-(phenylmethoxycarbonylamino)acetate
CID 151400994
6-[[2-[[2-(5-carboxypentylamino)-2-oxoethyl]-[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]hexanoic acid
CID 70864893
methyl 2-[amino-[2-(phenylmethoxycarbonylamino)acetyl]amino]acetate
CID 165342996
benzyl N-[2-[tert-butyl(methyl)amino]-2-oxoethyl]carbamate
CID 176618117
ethyl 2-[[3-hydroxy-2-(phenylmethoxycarbonylamino)propanoyl]amino]acetate
CID 658436
benzyl N-(2-amino-2-oxoethyl)carbamate;2-methylpropane
CID 169191565
benzyl N-ethyl-N-(2-methylpropyl)carbamate
CID 130580876
benzyl N-[2-(diethoxyphosphorylmethylamino)-2-oxoethyl]carbamate
CID 15458754

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-[2-methylpropyl-[2-[[2-[2-methylpropyl-[2-[[2-[2-methylpropyl-[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetate?
The IUPAC name of ethyl 2-[[2-[2-methylpropyl-[2-[[2-[2-methylpropyl-[2-[[2-[2-methylpropyl-[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetate (CID 25184628) is ethyl 2-[[2-[2-methylpropyl-[2-[[2-[2-methylpropyl-[2-[[2-[2-methylpropyl-[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[2-[2-methylpropyl-[2-[[2-[2-methylpropyl-[2-[[2-[2-methylpropyl-[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetate?
The canonical SMILES for ethyl 2-[[2-[2-methylpropyl-[2-[[2-[2-methylpropyl-[2-[[2-[2-methylpropyl-[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetate is CCOC(=O)CNC(=O)CN(CC(C)C)C(=O)CNC(=O)CN(CC(C)C)C(=O)CNC(=O)CN(CC(C)C)C(=O)CNC(=O)OCc1ccccc1.
What is the InChIKey of ethyl 2-[[2-[2-methylpropyl-[2-[[2-[2-methylpropyl-[2-[[2-[2-methylpropyl-[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetate?
The InChIKey is RRBBHGWACXSRFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H57N7O10/c1-8-52-35(50)17-39-31(46)23-42(19-26(4)5)33(48)15-37-29(44)21-41(18-25(2)3)32(47)14-38-30(45)22-43(20-27(6)7)34(49)16-40-36(51)53-24-28-12-10-9-11-13-28/h9-13,25-27H,8,14-24H2,1-7H3,(H,37,44)(H,38,45)(H,39,46)(H,40,51).
What are the key properties of ethyl 2-[[2-[2-methylpropyl-[2-[[2-[2-methylpropyl-[2-[[2-[2-methylpropyl-[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetate?
ethyl 2-[[2-[2-methylpropyl-[2-[[2-[2-methylpropyl-[2-[[2-[2-methylpropyl-[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetate has a molecular weight of 747.89 g/mol, XLogP of 0.28, 23 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-[2-methylpropyl-[2-[[2-[2-methylpropyl-[2-[[2-[2-methylpropyl-[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetate is sourced from PubChem (CID 25184628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).