EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	L5W337AOUR
EPA CompTox	DTXSID00904150

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

L5W337AOUR

EPA CompTox

DTXSID00904150


InChI Key	SRVFFFJZQVENJC-IHRRRGAJSA-N
Smiles	CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C
InChI	InChI=1S/C17H30N2O5/c1-6-23-17(22)14-13(24-14)16(21)19-12(9-11(4)5)15(20)18-8-7-10(2)3/h10-14H,6-9H2,1-5H3,(H,18,20)(H,19,21)/t12-,13-,14-/m0/s1

InChI Key

SRVFFFJZQVENJC-IHRRRGAJSA-N

Smiles

CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C

InChI

InChI=1S/C17H30N2O5/c1-6-23-17(22)14-13(24-14)16(21)19-12(9-11(4)5)15(20)18-8-7-10(2)3/h10-14H,6-9H2,1-5H3,(H,18,20)(H,19,21)/t12-,13-,14-/m0/s1

Property Name	Value
Molecular Formula	C17H30N2O5
Molecular Weight	342.22
AlogP	2.69
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	10.0
Polar Surface Area	104.01
Heavy Atoms	24.0

Property Name

Value

Molecular Formula

C17H30N2O5

Molecular Weight

342.22

AlogP

2.69

Hydrogen Bond Acceptor

5.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

10.0

Polar Surface Area

104.01

Heavy Atoms

24.0

Resources	Reference
CAS NUMBER	88321-09-9
NORMAN SUSDAT
FDA SRS	L5W337AOUR

Resources

Reference

CAS NUMBER

88321-09-9

NORMAN SUSDAT

FDA SRS

L5W337AOUR

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

ALOXISTATIN

Structure

Physicochemical Descriptors

Cross References