H37/PRD_001160

D-PHENYLALANYL-N-[(3S)-6-CARBAMIMIDAMIDO-1-CHLORO-2-OXOHEXAN-3-YL]-L-PHENYLALANINAMIDE

Created:2010-11-09
Last modified:  2024-09-27

H37/PRD_001160 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 1CVR.

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Chemical Details

Formal Charge0
Atom Count68
Chiral Atom Count3
Bond Count69
Aromatic Bond Count12
2D diagram of H37
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Chemical Component Summary

NameD-PHENYLALANYL-N-[(3S)-6-CARBAMIMIDAMIDO-1-CHLORO-2-OXOHEXAN-3-YL]-L-PHENYLALANINAMIDE
SynonymsFFRCK
Systematic Name (OpenEye OEToolkits)(2R)-2-azanyl-N-[(2S)-1-[[(3S)-6-carbamimidamido-1-chloro-2-oxo-hexan-3-yl]amino]-1-oxo-3-phenyl-propan-2-yl]-3-phenyl-propanamide
FormulaC25 H33 Cl N6 O3
Molecular Weight501.021
TypePEPTIDE-LIKE

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01ClCC(=O)C(NC(=O)C(NC(=O)C(N)Cc1ccccc1)Cc2ccccc2)CCCNC(=[N@H])N
SMILESCACTVS3.370N[CH](Cc1ccccc1)C(=O)N[CH](Cc2ccccc2)C(=O)N[CH](CCCNC(N)=N)C(=O)CCl
SMILESOpenEye OEToolkits1.7.0c1ccc(cc1)CC(C(=O)NC(Cc2ccccc2)C(=O)NC(CCCNC(=N)N)C(=O)CCl)N
Canonical SMILESCACTVS3.370 N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)CCl
Canonical SMILESOpenEye OEToolkits1.7.0 [H]/N=C(\N)/NCCC[C@@H](C(=O)CCl)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc2ccccc2)N
InChIInChI1.03 InChI=1S/C25H33ClN6O3/c26-16-22(33)20(12-7-13-30-25(28)29)31-24(35)21(15-18-10-5-2-6-11-18)32-23(34)19(27)14-17-8-3-1-4-9-17/h1-6,8-11,19-21H,7,12-16,27H2,(H,31,35)(H,32,34)(H4,28,29,30)/t19-,20+,21+/m1/s1
InChIKeyInChI1.03 PJFSUJMJVYGASC-HKBOAZHASA-N

Related Resource References

Resource NameReference
PubChem 10278683