PRD_000404

L-prolyl-L-leucyl-N-hydroxyglycinamide

Created:	2012-02-01
Last modified:	2023-09-20

PRD_000404 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 1JAN.

Find Related PDB Entries
3 entries where PRD_000404 is present

Chemical Details
Formal Charge	0
Atom Count	45
Chiral Atom Count	2
Bond Count	45
Aromatic Bond Count	0

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Chemical Component Summary
Name	L-prolyl-L-leucyl-N-hydroxyglycinamide
Systematic Name (OpenEye OEToolkits)	(2S)-N-[(2S)-4-methyl-1-[[2-(oxidanylamino)-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-pentan-2-yl]pyrrolidine-2-carboxamide
Formula	C₁₃ H₂₄ N₄ O₄
Molecular Weight	300.354
Type	PEPTIDE-LIKE

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(NC(C(=O)NCC(=O)NO)CC(C)C)C1NCCC1
SMILES	CACTVS	3.370	CC(C)C[CH](NC(=O)[CH]1CCCN1)C(=O)NCC(=O)NO
SMILES	OpenEye OEToolkits	1.7.6	CC(C)CC(C(=O)NCC(=O)NO)NC(=O)C1CCCN1
Canonical SMILES	CACTVS	3.370	CC(C)C[C@@H](NC(=O)[C@@H]1CCCN1)C(=O)NCC(=O)NO
Canonical SMILES	OpenEye OEToolkits	1.7.6	CC(C)C[C@@H](C(=O)NCC(=O)NO)NC(=O)[C@@H]1CCCN1
InChI	InChI	1.03	InChI=1S/C13H24N4O4/c1-8(2)6-10(12(19)15-7-11(18)17-21)16-13(20)9-4-3-5-14-9/h8-10,14,21H,3-7H2,1-2H3,(H,15,19)(H,16,20)(H,17,18)
InChIKey	InChI	1.03	WFURCOXZZPMXOC-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	446433
ChEMBL	CHEMBL508574

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