(2R)-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-[[(2R)-2-cyclohexyl-2-(morpholine-4-carbonylamino)acetyl]amino]-2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]acetyl]amino]acetyl]-methylamino]-4-methylpentanoic acid

C47H72N6O8 — CID 11851712

IUPAC(2R)-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-[[(2R)-2-cyclohexyl-2-(morpholine-4-carbonylamino)acetyl]amino]-2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]acetyl]amino]acetyl]-methylamino]-4-methylpentanoic acid
SMILESCC(C)C[C@H](C(=O)O)N(C)C(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)N1CCOCC1)C1CCCCC1)C1CCc2ccccc21)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C47H72N6O8/c1-30(2)29-37(46(58)59)52(3)45(57)40(34-20-11-6-12-21-34)49-42(54)38(32-16-7-4-8-17-32)48-44(56)41(36-24-23-31-15-13-14-22-35(31)36)50-43(55)39(33-18-9-5-10-19-33)51-47(60)53-25-27-61-28-26-53/h13-15,22,30,32-34,36-41H,4-12,16-21,23-29H2,1-3H3,(H,48,56)(H,49,54)(H,50,55)(H,51,60)(H,58,59)/t36?,37-,38-,39-,40-,41-/m1/s1
InChIKeyHNXHDAVSDHUPAF-RBNWSHTJSA-N
MW849.13 g/mol
LogP5.28
Rot. Bonds16

About (2R)-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-[[(2R)-2-cyclohexyl-2-(morpholine-4-carbonylamino)acetyl]amino]-2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]acetyl]amino]acetyl]-methylamino]-4-methylpentanoic acid

(2R)-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-[[(2R)-2-cyclohexyl-2-(morpholine-4-carbonylamino)acetyl]amino]-2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]acetyl]amino]acetyl]-methylamino]-4-methylpentanoic acid (PubChem CID 11851712) has the molecular formula C47H72N6O8 and a molecular weight of 849.13 g/mol. Its IUPAC name is (2R)-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-[[(2R)-2-cyclohexyl-2-(morpholine-4-carbonylamino)acetyl]amino]-2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]acetyl]amino]acetyl]-methylamino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2R)-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-[[(2R)-2-cyclohexyl-2-(morpholine-4-carbonylamino)acetyl]amino]-2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]acetyl]amino]acetyl]-methylamino]-4-methylpentanoic acid
PubChem CID11851712
Molecular FormulaC47H72N6O8
Molecular Weight849.13 g/mol
Exact Mass848.54
IUPAC Name(2R)-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-[[(2R)-2-cyclohexyl-2-(morpholine-4-carbonylamino)acetyl]amino]-2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]acetyl]amino]acetyl]-methylamino]-4-methylpentanoic acid
SMILESCC(C)C[C@H](C(=O)O)N(C)C(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)N1CCOCC1)C1CCCCC1)C1CCc2ccccc21)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C47H72N6O8/c1-30(2)29-37(46(58)59)52(3)45(57)40(34-20-11-6-12-21-34)49-42(54)38(32-16-7-4-8-17-32)48-44(56)41(36-24-23-31-15-13-14-22-35(31)36)50-43(55)39(33-18-9-5-10-19-33)51-47(60)53-25-27-61-28-26-53/h13-15,22,30,32-34,36-41H,4-12,16-21,23-29H2,1-3H3,(H,48,56)(H,49,54)(H,50,55)(H,51,60)(H,58,59)/t36?,37-,38-,39-,40-,41-/m1/s1
InChIKeyHNXHDAVSDHUPAF-RBNWSHTJSA-N
XLogP5.28
TPSA186.48 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500849.13
LogP ≤ 55.28
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze (2R)-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-[[(2R)-2-cyclohexyl-2-(morpholine-4-carbonylamino)acetyl]amino]-2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]acetyl]amino]acetyl]-methylamino]-4-methylpentanoic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-[[(2R)-2-cyclohexyl-2-(morpholine-4-carbonylamino)acetyl]amino]-2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]acetyl]amino]acetyl]-methylamino]-4-methylpentanoic acid?
The IUPAC name of (2R)-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-[[(2R)-2-cyclohexyl-2-(morpholine-4-carbonylamino)acetyl]amino]-2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]acetyl]amino]acetyl]-methylamino]-4-methylpentanoic acid (CID 11851712) is (2R)-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-[[(2R)-2-cyclohexyl-2-(morpholine-4-carbonylamino)acetyl]amino]-2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]acetyl]amino]acetyl]-methylamino]-4-methylpentanoic acid.
What is the SMILES notation for (2R)-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-[[(2R)-2-cyclohexyl-2-(morpholine-4-carbonylamino)acetyl]amino]-2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]acetyl]amino]acetyl]-methylamino]-4-methylpentanoic acid?
The canonical SMILES for (2R)-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-[[(2R)-2-cyclohexyl-2-(morpholine-4-carbonylamino)acetyl]amino]-2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]acetyl]amino]acetyl]-methylamino]-4-methylpentanoic acid is CC(C)C[C@H](C(=O)O)N(C)C(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)N1CCOCC1)C1CCCCC1)C1CCc2ccccc21)C1CCCCC1)C1CCCCC1.
What is the InChIKey of (2R)-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-[[(2R)-2-cyclohexyl-2-(morpholine-4-carbonylamino)acetyl]amino]-2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]acetyl]amino]acetyl]-methylamino]-4-methylpentanoic acid?
The InChIKey is HNXHDAVSDHUPAF-RBNWSHTJSA-N. The full InChI is InChI=1S/C47H72N6O8/c1-30(2)29-37(46(58)59)52(3)45(57)40(34-20-11-6-12-21-34)49-42(54)38(32-16-7-4-8-17-32)48-44(56)41(36-24-23-31-15-13-14-22-35(31)36)50-43(55)39(33-18-9-5-10-19-33)51-47(60)53-25-27-61-28-26-53/h13-15,22,30,32-34,36-41H,4-12,16-21,23-29H2,1-3H3,(H,48,56)(H,49,54)(H,50,55)(H,51,60)(H,58,59)/t36?,37-,38-,39-,40-,41-/m1/s1.
What are the key properties of (2R)-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-[[(2R)-2-cyclohexyl-2-(morpholine-4-carbonylamino)acetyl]amino]-2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]acetyl]amino]acetyl]-methylamino]-4-methylpentanoic acid?
(2R)-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-[[(2R)-2-cyclohexyl-2-(morpholine-4-carbonylamino)acetyl]amino]-2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]acetyl]amino]acetyl]-methylamino]-4-methylpentanoic acid has a molecular weight of 849.13 g/mol, XLogP of 5.28, 16 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-[[(2R)-2-cyclohexyl-2-(morpholine-4-carbonylamino)acetyl]amino]-2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]acetyl]amino]acetyl]-methylamino]-4-methylpentanoic acid is sourced from PubChem (CID 11851712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).