PRD_002308

DAMGO

Created:	2018-05-10
Last modified:	2018-06-13

PRD_002308 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 6DDF.

Find Related PDB Entries
6 entries where PRD_002308 is present

Chemical Details
Formal Charge	0
Atom Count	72
Chiral Atom Count	3
Bond Count	73
Aromatic Bond Count	12

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Chemical Component Summary
Name	DAMGO
Systematic Name (OpenEye OEToolkits)	(2~{S})-2-azanyl-~{N}-[(2~{R})-1-[[2-[[(2~{S})-1-(2-hydroxyethylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]-methyl-amino]-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-propan-2-yl]-3-(4-hydroxyphenyl)propanamide
Formula	C₂₆ H₃₅ N₅ O₆
Molecular Weight	513.586
Type	PEPTIDE-LIKE

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	C[CH](NC(=O)[CH](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[CH](Cc2ccccc2)C(=O)NCCO
SMILES	OpenEye OEToolkits	2.0.7	CC(C(=O)NCC(=O)N(C)C(Cc1ccccc1)C(=O)NCCO)NC(=O)C(Cc2ccc(cc2)O)N
Canonical SMILES	CACTVS	3.385	C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc2ccccc2)C(=O)NCCO
Canonical SMILES	OpenEye OEToolkits	2.0.7	C[C@H](C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO)NC(=O)[C@H](Cc2ccc(cc2)O)N
InChI	InChI	1.06	InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1
InChIKey	InChI	1.06	HPZJMUBDEAMBFI-WTNAPCKOSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL38874
PubChem	5462471
ChEMBL	CHEMBL38874
ChEBI	CHEBI:272

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