PRD_000270

4-biphenylacetyl-CYS-(D)ARG-TYR-N-(2-phenylethyl) amide

PRD_000270 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 1MHW.

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Chemical Component Summary

Name4-biphenylacetyl-CYS-(D)ARG-TYR-N-(2-phenylethyl) amide
Identifiers[(2S)-2-[[(2R)-5-[[azaniumylidene(azanyl)methyl]amino]-2-[[(2R)-2-[2-(4-phenylphenyl)ethanoylamino]-3-sulfanyl-propanoyl]amino]pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]-(2-phenylethyl)azanium
FormulaC40 H49 N7 O5 S
Molecular Weight739.926
TypePEPTIDE-LIKE
Isomeric SMILESc1ccc(cc1)CC[NH2+]C(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@@H](CCCNC(=[NH2+])N)NC(=O)[C@H](CS)NC(=O)Cc3ccc(cc3)c4ccccc4
InChIInChI=1S/C40H47N7O5S/c41-40(42)44-22-7-12-33(46-39(52)35(26-53)45-36(49)25-29-13-17-31(18-14-29)30-10-5-2-6-11-30)38(51)47-34(24-28-15-19-32(48)20-16-28)37(50)43-23-21-27-8-3-1-4-9-27/h1-6,8-11,13-20,33-35,48,53H,7,12,21-26H2,(H,43,50)(H,45,49)(H,46,52)(H,47,51)(H4,41,42,44)/p+2
InChIKeyNUMKOHVVKQPEDY-UHFFFAOYSA-P
CompositionPolymer Sequences: BP4-CYS-DAR-TYR-PEA
BIRD classINHIBITOR
Represented AsPOLYMER
Compound Detailsn/a
Descriptionn/a

Chemical Details

Formal Charge0
Atom Count102
Chiral Atom Count3
Bond Count105
Aromatic Bond Count25