Details of the Drug

General Information of Drug (ID: DMKAEQP)

Drug Name

H-mCpa-Gly-Gly-Phe-Leu-OH

Synonyms

CHEMBL392275; H-mCpa-Gly-Gly-Phe-Leu-OH

Indication

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

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 3

Molecular Weight (mw)

582.6

Logarithm of the Partition Coefficient (xlogp)

-1.9

Rotatable Bond Count (rotbonds)

16

Hydrogen Bond Donor Count (hbonddonor)

7

Hydrogen Bond Acceptor Count (hbondacc)

8

Chemical Identifiers

Formula: C29H38N6O7
IUPAC Name: (2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-(3-carbamoylphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoic acid
Canonical SMILES: CC(C)C[C@@H](C(=O)O)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)[C@H](CC2=CC(=CC=C2)C(=O)N)N
InChI: InChI=1S/C29H38N6O7/c1-17(2)11-23(29(41)42)35-28(40)22(14-18-7-4-3-5-8-18)34-25(37)16-32-24(36)15-33-27(39)21(30)13-19-9-6-10-20(12-19)26(31)38/h3-10,12,17,21-23H,11,13-16,30H2,1-2H3,(H2,31,38)(H,32,36)(H,33,39)(H,34,37)(H,35,40)(H,41,42)/t21-,22-,23-/m0/s1
InChIKey: MKAKAIMBENCCEJ-VABKMULXSA-N