5-[[2-[[2-[[1-(naphthalen-2-ylamino)-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-5-oxopentanoic acid

C28H30N4O6 — CID 3272310

IUPAC5-[[2-[[2-[[1-(naphthalen-2-ylamino)-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)NCC(=O)NCC(=O)NC(Cc1ccccc1)C(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C28H30N4O6/c33-24(11-6-12-27(36)37)29-17-25(34)30-18-26(35)32-23(15-19-7-2-1-3-8-19)28(38)31-22-14-13-20-9-4-5-10-21(20)16-22/h1-5,7-10,13-14,16,23H,6,11-12,15,17-18H2,(H,29,33)(H,30,34)(H,31,38)(H,32,35)(H,36,37)
InChIKeySCRMMJVITKQLCL-UHFFFAOYSA-N
MW518.57 g/mol
LogP1.99
Rot. Bonds13

About 5-[[2-[[2-[[1-(naphthalen-2-ylamino)-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-5-oxopentanoic acid

5-[[2-[[2-[[1-(naphthalen-2-ylamino)-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-5-oxopentanoic acid (PubChem CID 3272310) has the molecular formula C28H30N4O6 and a molecular weight of 518.57 g/mol. Its IUPAC name is 5-[[2-[[2-[[1-(naphthalen-2-ylamino)-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[[2-[[2-[[1-(naphthalen-2-ylamino)-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-5-oxopentanoic acid
PubChem CID3272310
Molecular FormulaC28H30N4O6
Molecular Weight518.57 g/mol
Exact Mass518.22
IUPAC Name5-[[2-[[2-[[1-(naphthalen-2-ylamino)-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)NCC(=O)NCC(=O)NC(Cc1ccccc1)C(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C28H30N4O6/c33-24(11-6-12-27(36)37)29-17-25(34)30-18-26(35)32-23(15-19-7-2-1-3-8-19)28(38)31-22-14-13-20-9-4-5-10-21(20)16-22/h1-5,7-10,13-14,16,23H,6,11-12,15,17-18H2,(H,29,33)(H,30,34)(H,31,38)(H,32,35)(H,36,37)
InChIKeySCRMMJVITKQLCL-UHFFFAOYSA-N
XLogP1.99
TPSA153.70 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.57
LogP ≤ 51.99
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-[[2-[[1-(naphthalen-2-ylamino)-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-5-oxopentanoic acid?
The IUPAC name of 5-[[2-[[2-[[1-(naphthalen-2-ylamino)-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-5-oxopentanoic acid (CID 3272310) is 5-[[2-[[2-[[1-(naphthalen-2-ylamino)-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[[2-[[2-[[1-(naphthalen-2-ylamino)-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-5-oxopentanoic acid?
The canonical SMILES for 5-[[2-[[2-[[1-(naphthalen-2-ylamino)-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-5-oxopentanoic acid is O=C(O)CCCC(=O)NCC(=O)NCC(=O)NC(Cc1ccccc1)C(=O)Nc1ccc2ccccc2c1.
What is the InChIKey of 5-[[2-[[2-[[1-(naphthalen-2-ylamino)-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-5-oxopentanoic acid?
The InChIKey is SCRMMJVITKQLCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O6/c33-24(11-6-12-27(36)37)29-17-25(34)30-18-26(35)32-23(15-19-7-2-1-3-8-19)28(38)31-22-14-13-20-9-4-5-10-21(20)16-22/h1-5,7-10,13-14,16,23H,6,11-12,15,17-18H2,(H,29,33)(H,30,34)(H,31,38)(H,32,35)(H,36,37).
What are the key properties of 5-[[2-[[2-[[1-(naphthalen-2-ylamino)-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-5-oxopentanoic acid?
5-[[2-[[2-[[1-(naphthalen-2-ylamino)-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-5-oxopentanoic acid has a molecular weight of 518.57 g/mol, XLogP of 1.99, 13 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[[2-[[1-(naphthalen-2-ylamino)-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 3272310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).