methyl 2-methyl-2-[[(2R)-4-methyl-2-[[(2S)-4-methyl-2-[[2-methyl-2-[[(2R)-4-methyl-2-[[(2S)-4-methyl-2-[[2-methyl-2-[[(2R)-4-methyl-2-[[(2S)-4-methyl-2-[[2-methyl-2-[[(2R)-4-methyl-2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]pentanoyl]amino]propanoyl]amino]pentanoyl]amino]pentanoyl]amino]propanoyl]amino]pentanoyl]amino]pentanoyl]amino]propanoyl]amino]pentanoyl]amino]pentanoyl]amino]propanoate

C70H128N12O15 — CID 102234356

IUPACmethyl 2-methyl-2-[[(2R)-4-methyl-2-[[(2S)-4-methyl-2-[[2-methyl-2-[[(2R)-4-methyl-2-[[(2S)-4-methyl-2-[[2-methyl-2-[[(2R)-4-methyl-2-[[(2S)-4-methyl-2-[[2-methyl-2-[[(2R)-4-methyl-2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]pentanoyl]amino]propanoyl]amino]pentanoyl]amino]pentanoyl]amino]propanoyl]amino]pentanoyl]amino]pentanoyl]amino]propanoyl]amino]pentanoyl]amino]pentanoyl]amino]propanoate
SMILESCOC(=O)C(C)(C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)C(C)(C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)C(C)(C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)C(C)(C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C
InChIInChI=1S/C70H128N12O15/c1-37(2)29-45(53(83)71-50(34-42(11)12)58(88)80-68(22,23)62(92)77-47(31-39(5)6)55(85)73-52(36-44(15)16)60(90)82-70(26,27)64(94)96-28)75-61(91)67(20,21)79-57(87)49(33-41(9)10)72-54(84)46(30-38(3)4)76-63(93)69(24,25)81-59(89)51(35-43(13)14)74-56(86)48(32-40(7)8)78-65(95)97-66(17,18)19/h37-52H,29-36H2,1-28H3,(H,71,83)(H,72,84)(H,73,85)(H,74,86)(H,75,91)(H,76,93)(H,77,92)(H,78,95)(H,79,87)(H,80,88)(H,81,89)(H,82,90)/t45-,46-,47-,48-,49+,50+,51+,52+/m0/s1
InChIKeyJDVDLKKBZLEOFR-PKUDUUBLSA-N
MW1377.86 g/mol
LogP5.39
Rot. Bonds40

About methyl 2-methyl-2-[[(2R)-4-methyl-2-[[(2S)-4-methyl-2-[[2-methyl-2-[[(2R)-4-methyl-2-[[(2S)-4-methyl-2-[[2-methyl-2-[[(2R)-4-methyl-2-[[(2S)-4-methyl-2-[[2-methyl-2-[[(2R)-4-methyl-2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]pentanoyl]amino]propanoyl]amino]pentanoyl]amino]pentanoyl]amino]propanoyl]amino]pentanoyl]amino]pentanoyl]amino]propanoyl]amino]pentanoyl]amino]pentanoyl]amino]propanoate

methyl 2-methyl-2-[[(2R)-4-methyl-2-[[(2S)-4-methyl-2-[[2-methyl-2-[[(2R)-4-methyl-2-[[(2S)-4-methyl-2-[[2-methyl-2-[[(2R)-4-methyl-2-[[(2S)-4-methyl-2-[[2-methyl-2-[[(2R)-4-methyl-2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]pentanoyl]amino]propanoyl]amino]pentanoyl]amino]pentanoyl]amino]propanoyl]amino]pentanoyl]amino]pentanoyl]amino]propanoyl]amino]pentanoyl]amino]pentanoyl]amino]propanoate (PubChem CID 102234356) has the molecular formula C70H128N12O15 and a molecular weight of 1377.86 g/mol. Its IUPAC name is methyl 2-methyl-2-[[(2R)-4-methyl-2-[[(2S)-4-methyl-2-[[2-methyl-2-[[(2R)-4-methyl-2-[[(2S)-4-methyl-2-[[2-methyl-2-[[(2R)-4-methyl-2-[[(2S)-4-methyl-2-[[2-methyl-2-[[(2R)-4-methyl-2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]pentanoyl]amino]propanoyl]amino]pentanoyl]amino]pentanoyl]amino]propanoyl]amino]pentanoyl]amino]pentanoyl]amino]propanoyl]amino]pentanoyl]amino]pentanoyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-[[(2R)-4-methyl-2-[[(2S)-4-methyl-2-[[2-methyl-2-[[(2R)-4-methyl-2-[[(2S)-4-methyl-2-[[2-methyl-2-[[(2R)-4-methyl-2-[[(2S)-4-methyl-2-[[2-methyl-2-[[(2R)-4-methyl-2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]pentanoyl]amino]propanoyl]amino]pentanoyl]amino]pentanoyl]amino]propanoyl]amino]pentanoyl]amino]pentanoyl]amino]propanoyl]amino]pentanoyl]amino]pentanoyl]amino]propanoate
PubChem CID102234356
Molecular FormulaC70H128N12O15
Molecular Weight1377.86 g/mol
Exact Mass1376.96
IUPAC Namemethyl 2-methyl-2-[[(2R)-4-methyl-2-[[(2S)-4-methyl-2-[[2-methyl-2-[[(2R)-4-methyl-2-[[(2S)-4-methyl-2-[[2-methyl-2-[[(2R)-4-methyl-2-[[(2S)-4-methyl-2-[[2-methyl-2-[[(2R)-4-methyl-2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]pentanoyl]amino]propanoyl]amino]pentanoyl]amino]pentanoyl]amino]propanoyl]amino]pentanoyl]amino]pentanoyl]amino]propanoyl]amino]pentanoyl]amino]pentanoyl]amino]propanoate
SMILESCOC(=O)C(C)(C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)C(C)(C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)C(C)(C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)C(C)(C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C
InChIInChI=1S/C70H128N12O15/c1-37(2)29-45(53(83)71-50(34-42(11)12)58(88)80-68(22,23)62(92)77-47(31-39(5)6)55(85)73-52(36-44(15)16)60(90)82-70(26,27)64(94)96-28)75-61(91)67(20,21)79-57(87)49(33-41(9)10)72-54(84)46(30-38(3)4)76-63(93)69(24,25)81-59(89)51(35-43(13)14)74-56(86)48(32-40(7)8)78-65(95)97-66(17,18)19/h37-52H,29-36H2,1-28H3,(H,71,83)(H,72,84)(H,73,85)(H,74,86)(H,75,91)(H,76,93)(H,77,92)(H,78,95)(H,79,87)(H,80,88)(H,81,89)(H,82,90)/t45-,46-,47-,48-,49+,50+,51+,52+/m0/s1
InChIKeyJDVDLKKBZLEOFR-PKUDUUBLSA-N
XLogP5.39
TPSA384.73 Ų
H-Bond Donors12
H-Bond Acceptors15
Rotatable Bonds40
Heavy Atoms97
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001377.86
LogP ≤ 55.39
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1015

Analyze methyl 2-methyl-2-[[(2R)-4-methyl-2-[[(2S)-4-methyl-2-[[2-methyl-2-[[(2R)-4-methyl-2-[[(2S)-4-methyl-2-[[2-methyl-2-[[(2R)-4-methyl-2-[[(2S)-4-methyl-2-[[2-methyl-2-[[(2R)-4-methyl-2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]pentanoyl]amino]propanoyl]amino]pentanoyl]amino]pentanoyl]amino]propanoyl]amino]pentanoyl]amino]pentanoyl]amino]propanoyl]amino]pentanoyl]amino]pentanoyl]amino]propanoate 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

methyl 2-methyl-2-[[(2S)-4-methyl-2-[[(2R)-4-methyl-2-[[2-methyl-2-[[(2S)-4-methyl-2-[[(2R)-4-methyl-2-[[2-methyl-2-[[(2S)-4-methyl-2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]pentanoyl]amino]propanoyl]amino]pentanoyl]amino]pentanoyl]amino]propanoyl]amino]pentanoyl]amino]pentanoyl]amino]propanoate
CID 132530910
methyl 2-methyl-2-[[(2S)-4-methyl-2-[[(2R)-4-methyl-2-[[2-methyl-2-[[(2R)-4-methyl-2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]pentanoyl]amino]propanoyl]amino]pentanoyl]amino]pentanoyl]amino]propanoate
CID 46895723
methyl (2S)-2-[[3-methoxy-2-methyl-2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-3-oxopropanoyl]amino]-4-methylpentanoate
CID 15382541
methyl 2-methyl-2-[[(2S)-4-methyl-2-[[(2S)-4-methyl-2-[[2-methyl-2-[[(2S)-4-methyl-2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]pentanoyl]amino]propanoyl]amino]pentanoyl]amino]pentanoyl]amino]propanoate
CID 16723454
4-methyl-2-[[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]pentanoic acid
CID 3243056
tert-butyl N-[1-(methoxyamino)-4-methyl-1-oxopentan-2-yl]carbamate
CID 23388437
tert-butyl N-[(2S)-1-[[(2S)-1-(2-acetylhydrazinyl)-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 7256542
methyl 2-methyl-2-[[2-methyl-2-[[(2S)-4-methyl-2-[[2-methyl-2-[[2-methyl-2-[[2-methyl-2-[[2-methyl-2-[[2-methyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]pentanoyl]amino]propanoyl]amino]propanoate
CID 102079912
tert-butyl N-[(2S)-1-(1-hydroxypropan-2-ylamino)-4-methyl-1-oxopentan-2-yl]carbamate
CID 101493965
(2S)-3-methyl-2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]butanoic acid
CID 14446073
tert-butyl N-[(2S)-1-(ethylamino)-4-methyl-1-oxopentan-2-yl]carbamate
CID 7038768
2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]acetate
CID 7018767

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-[[(2R)-4-methyl-2-[[(2S)-4-methyl-2-[[2-methyl-2-[[(2R)-4-methyl-2-[[(2S)-4-methyl-2-[[2-methyl-2-[[(2R)-4-methyl-2-[[(2S)-4-methyl-2-[[2-methyl-2-[[(2R)-4-methyl-2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]pentanoyl]amino]propanoyl]amino]pentanoyl]amino]pentanoyl]amino]propanoyl]amino]pentanoyl]amino]pentanoyl]amino]propanoyl]amino]pentanoyl]amino]pentanoyl]amino]propanoate?
The IUPAC name of methyl 2-methyl-2-[[(2R)-4-methyl-2-[[(2S)-4-methyl-2-[[2-methyl-2-[[(2R)-4-methyl-2-[[(2S)-4-methyl-2-[[2-methyl-2-[[(2R)-4-methyl-2-[[(2S)-4-methyl-2-[[2-methyl-2-[[(2R)-4-methyl-2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]pentanoyl]amino]propanoyl]amino]pentanoyl]amino]pentanoyl]amino]propanoyl]amino]pentanoyl]amino]pentanoyl]amino]propanoyl]amino]pentanoyl]amino]pentanoyl]amino]propanoate (CID 102234356) is methyl 2-methyl-2-[[(2R)-4-methyl-2-[[(2S)-4-methyl-2-[[2-methyl-2-[[(2R)-4-methyl-2-[[(2S)-4-methyl-2-[[2-methyl-2-[[(2R)-4-methyl-2-[[(2S)-4-methyl-2-[[2-methyl-2-[[(2R)-4-methyl-2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]pentanoyl]amino]propanoyl]amino]pentanoyl]amino]pentanoyl]amino]propanoyl]amino]pentanoyl]amino]pentanoyl]amino]propanoyl]amino]pentanoyl]amino]pentanoyl]amino]propanoate.
What is the SMILES notation for methyl 2-methyl-2-[[(2R)-4-methyl-2-[[(2S)-4-methyl-2-[[2-methyl-2-[[(2R)-4-methyl-2-[[(2S)-4-methyl-2-[[2-methyl-2-[[(2R)-4-methyl-2-[[(2S)-4-methyl-2-[[2-methyl-2-[[(2R)-4-methyl-2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]pentanoyl]amino]propanoyl]amino]pentanoyl]amino]pentanoyl]amino]propanoyl]amino]pentanoyl]amino]pentanoyl]amino]propanoyl]amino]pentanoyl]amino]pentanoyl]amino]propanoate?
The canonical SMILES for methyl 2-methyl-2-[[(2R)-4-methyl-2-[[(2S)-4-methyl-2-[[2-methyl-2-[[(2R)-4-methyl-2-[[(2S)-4-methyl-2-[[2-methyl-2-[[(2R)-4-methyl-2-[[(2S)-4-methyl-2-[[2-methyl-2-[[(2R)-4-methyl-2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]pentanoyl]amino]propanoyl]amino]pentanoyl]amino]pentanoyl]amino]propanoyl]amino]pentanoyl]amino]pentanoyl]amino]propanoyl]amino]pentanoyl]amino]pentanoyl]amino]propanoate is COC(=O)C(C)(C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)C(C)(C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)C(C)(C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)C(C)(C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C.
What is the InChIKey of methyl 2-methyl-2-[[(2R)-4-methyl-2-[[(2S)-4-methyl-2-[[2-methyl-2-[[(2R)-4-methyl-2-[[(2S)-4-methyl-2-[[2-methyl-2-[[(2R)-4-methyl-2-[[(2S)-4-methyl-2-[[2-methyl-2-[[(2R)-4-methyl-2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]pentanoyl]amino]propanoyl]amino]pentanoyl]amino]pentanoyl]amino]propanoyl]amino]pentanoyl]amino]pentanoyl]amino]propanoyl]amino]pentanoyl]amino]pentanoyl]amino]propanoate?
The InChIKey is JDVDLKKBZLEOFR-PKUDUUBLSA-N. The full InChI is InChI=1S/C70H128N12O15/c1-37(2)29-45(53(83)71-50(34-42(11)12)58(88)80-68(22,23)62(92)77-47(31-39(5)6)55(85)73-52(36-44(15)16)60(90)82-70(26,27)64(94)96-28)75-61(91)67(20,21)79-57(87)49(33-41(9)10)72-54(84)46(30-38(3)4)76-63(93)69(24,25)81-59(89)51(35-43(13)14)74-56(86)48(32-40(7)8)78-65(95)97-66(17,18)19/h37-52H,29-36H2,1-28H3,(H,71,83)(H,72,84)(H,73,85)(H,74,86)(H,75,91)(H,76,93)(H,77,92)(H,78,95)(H,79,87)(H,80,88)(H,81,89)(H,82,90)/t45-,46-,47-,48-,49+,50+,51+,52+/m0/s1.
What are the key properties of methyl 2-methyl-2-[[(2R)-4-methyl-2-[[(2S)-4-methyl-2-[[2-methyl-2-[[(2R)-4-methyl-2-[[(2S)-4-methyl-2-[[2-methyl-2-[[(2R)-4-methyl-2-[[(2S)-4-methyl-2-[[2-methyl-2-[[(2R)-4-methyl-2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]pentanoyl]amino]propanoyl]amino]pentanoyl]amino]pentanoyl]amino]propanoyl]amino]pentanoyl]amino]pentanoyl]amino]propanoyl]amino]pentanoyl]amino]pentanoyl]amino]propanoate?
methyl 2-methyl-2-[[(2R)-4-methyl-2-[[(2S)-4-methyl-2-[[2-methyl-2-[[(2R)-4-methyl-2-[[(2S)-4-methyl-2-[[2-methyl-2-[[(2R)-4-methyl-2-[[(2S)-4-methyl-2-[[2-methyl-2-[[(2R)-4-methyl-2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]pentanoyl]amino]propanoyl]amino]pentanoyl]amino]pentanoyl]amino]propanoyl]amino]pentanoyl]amino]pentanoyl]amino]propanoyl]amino]pentanoyl]amino]pentanoyl]amino]propanoate has a molecular weight of 1377.86 g/mol, XLogP of 5.39, 40 rotatable bonds, 12 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-[[(2R)-4-methyl-2-[[(2S)-4-methyl-2-[[2-methyl-2-[[(2R)-4-methyl-2-[[(2S)-4-methyl-2-[[2-methyl-2-[[(2R)-4-methyl-2-[[(2S)-4-methyl-2-[[2-methyl-2-[[(2R)-4-methyl-2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]pentanoyl]amino]propanoyl]amino]pentanoyl]amino]pentanoyl]amino]propanoyl]amino]pentanoyl]amino]pentanoyl]amino]propanoyl]amino]pentanoyl]amino]pentanoyl]amino]propanoate is sourced from PubChem (CID 102234356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).