Details of the Drug

General Information of Drug (ID: DM2F6L9)

Drug Name

H-Tyr-Pro-Phe-Ala-NH2

Synonyms

CHEMBL388265; H-Tyr-Pro-Phe-Ala-NH2; BDBM50209300

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
------------------------------------------------------------------------------------

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

495.6

Logarithm of the Partition Coefficient (xlogp)

0.7

Rotatable Bond Count (rotbonds)

10

Hydrogen Bond Donor Count (hbonddonor)

5

Hydrogen Bond Acceptor Count (hbondacc)

6

Chemical Identifiers

Formula: C26H33N5O5
IUPAC Name: (2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-N-[(2S)-1-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide
Canonical SMILES: C[C@@H](C(=O)N)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC3=CC=C(C=C3)O)N
InChI: InChI=1S/C26H33N5O5/c1-16(23(28)33)29-24(34)21(15-17-6-3-2-4-7-17)30-25(35)22-8-5-13-31(22)26(36)20(27)14-18-9-11-19(32)12-10-18/h2-4,6-7,9-12,16,20-22,32H,5,8,13-15,27H2,1H3,(H2,28,33)(H,29,34)(H,30,35)/t16-,20-,21-,22-/m0/s1
InChIKey: WNYNLZIGNIJEJM-KPQYALRZSA-N