PRD_002393

UAW247

Created:	2020-06-08
Last modified:	2020-06-17

PRD_002393 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 6XBH.

Find Related PDB Entries
2 entries where PRD_002393 is present

Chemical Details
Formal Charge	0
Atom Count	59
Chiral Atom Count	3
Bond Count	61
Aromatic Bond Count	12

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Chemical Component Summary
Name	UAW247
Systematic Name (OpenEye OEToolkits)	(phenylmethyl) ~{N}-[(2~{S})-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-3-phenyl-propan-2-yl]carbamate
Formula	C₂₄ H₂₇ N₃ O₅
Molecular Weight	437.488
Type	PEPTIDE-LIKE

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	O=C[CH](C[CH]1CCNC1=O)NC(=O)[CH](Cc2ccccc2)NC(=O)OCc3ccccc3
SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)CC(C(=O)NC(CC2CCNC2=O)C=O)NC(=O)OCc3ccccc3
Canonical SMILES	CACTVS	3.385	O=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc3ccccc3
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)C[C@@H](C(=O)N[C@@H](C[C@@H]2CCNC2=O)C=O)NC(=O)OCc3ccccc3
InChI	InChI	1.06	InChI=1S/C24H27N3O5/c28-15-20(14-19-11-12-25-22(19)29)26-23(30)21(13-17-7-3-1-4-8-17)27-24(31)32-16-18-9-5-2-6-10-18/h1-10,15,19-21H,11-14,16H2,(H,25,29)(H,26,30)(H,27,31)/t19-,20-,21-/m0/s1
InChIKey	InChI	1.06	JKMYXNKXJWIHOA-ACRUOGEOSA-N

Related Resource References

Resource Name	Reference
PubChem	44578234
ChEMBL	CHEMBL478401

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