PRD_002413

peptide ACE-GLY-PHE-HIS-H

Created:	2022-06-15
Last modified:	2022-11-30

PRD_002413 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 7ZV5.

Find Related PDB Entries
1 entry where PRD_002413 is present

Chemical Details
Formal Charge	0
Atom Count	52
Chiral Atom Count	2
Bond Count	53
Aromatic Bond Count	11

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	peptide ACE-GLY-PHE-HIS-H
Systematic Name (OpenEye OEToolkits)	(2~{S})-2-(2-acetamidoethanoylamino)-~{N}-[(2~{S})-1-(1~{H}-imidazol-3-ium-4-yl)-3-oxidanylidene-propan-2-yl]-3-phenyl-propanamide
Formula	C₁₉ H₂₄ N₅ O₄
Molecular Weight	386.425
Type	PEPTIDE-LIKE

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CC(=O)NCC(=O)N[CH](Cc1ccccc1)C(=O)N[CH](Cc2c[nH]c[nH+]2)C=O
SMILES	OpenEye OEToolkits	2.0.7	CC(=O)NCC(=O)NC(Cc1ccccc1)C(=O)NC(Cc2c[nH]c[nH+]2)C=O
Canonical SMILES	CACTVS	3.385	CC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	CC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C=O
InChI	InChI	1.06	InChI=1S/C19H23N5O4/c1-13(26)21-10-18(27)24-17(7-14-5-3-2-4-6-14)19(28)23-16(11-25)8-15-9-20-12-22-15/h2-6,9,11-12,16-17H,7-8,10H2,1H3,(H,20,22)(H,21,26)(H,23,28)(H,24,27)/p+1/t16-,17-/m0/s1
InChIKey	InChI	1.06	NLQLHNHRQGQHQD-IRXDYDNUSA-O

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.