Details of the Drug

General Information of Drug (ID: DMGBCP0)

Drug Name

DIPROTIN A

Synonyms

diprotin A; MLS002207185; NSC602337; HIV inhibitor; AC1Q5KXE; AC1L1F6Q; DivK1c_000899; CHEMBL158110; SCHEMBL17867000; KBio1_000899; HMS502M21; NINDS_000899; Ile-Pro-Ile, > BDBM50085083; NSC-602337; IDI1_000899; AN-25068; SMR001306756; Bacillus cereus BMF673-RF1 culture filtrate; 2-[[1-(2-amino-3-methyl-pentanoyl)pyrrolidine-2-carbonyl]amino]-3-methyl-pentanoic acid; 2-{[1-(2-Amino-3-methyl-pentanoyl)-pyrrolidine-2-carbonyl]-amino}-3-methyl-pentanoic acid

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): 0

Molecular Weight (mw)

341.4

Logarithm of the Partition Coefficient (xlogp)

-1

Rotatable Bond Count (rotbonds)

8

Hydrogen Bond Donor Count (hbonddonor)

3

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C17H31N3O4
IUPAC Name: (2S,3S)-2-[[(2S)-1-[(2S,3S)-2-amino-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoic acid
Canonical SMILES: CC[C@H](C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)CC)C(=O)O)N
InChI: InChI=1S/C17H31N3O4/c1-5-10(3)13(18)16(22)20-9-7-8-12(20)15(21)19-14(17(23)24)11(4)6-2/h10-14H,5-9,18H2,1-4H3,(H,19,21)(H,23,24)/t10-,11-,12-,13-,14-/m0/s1
InChIKey: JNTMAZFVYNDPLB-PEDHHIEDSA-N