VPF/PRD_000908

N-(3-CARBOXYPROPANOYL)-L-VALYL-N-[(1S)-2-PHENYL-1-PHOSPHONOETHYL]-L-PROLINAMIDE

Created:2012-02-10
Last modified:  2024-09-27

VPF/PRD_000908 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 3UFA.

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Chemical Details

Formal Charge0
Atom Count66
Chiral Atom Count3
Bond Count67
Aromatic Bond Count6
2D diagram of VPF
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Chemical Component Summary

NameN-(3-CARBOXYPROPANOYL)-L-VALYL-N-[(1S)-2-PHENYL-1-PHOSPHONOETHYL]-L-PROLINAMIDE
Systematic Name (OpenEye OEToolkits)4-[[(2S)-3-methyl-1-oxidanylidene-1-[(2S)-2-[[(1S)-2-phenyl-1-phosphono-ethyl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]amino]-4-oxidanylidene-butanoic acid
FormulaC22 H32 N3 O8 P
Molecular Weight497.479
TypePEPTIDE-LIKE

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(NC(Cc1ccccc1)P(=O)(O)O)C2N(C(=O)C(NC(=O)CCC(=O)O)C(C)C)CCC2
SMILESCACTVS3.370CC(C)[CH](NC(=O)CCC(O)=O)C(=O)N1CCC[CH]1C(=O)N[CH](Cc2ccccc2)[P](O)(O)=O
SMILESOpenEye OEToolkits1.7.6CC(C)C(C(=O)N1CCCC1C(=O)NC(Cc2ccccc2)P(=O)(O)O)NC(=O)CCC(=O)O
Canonical SMILESCACTVS3.370 CC(C)[C@H](NC(=O)CCC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](Cc2ccccc2)[P](O)(O)=O
Canonical SMILESOpenEye OEToolkits1.7.6 CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](Cc2ccccc2)P(=O)(O)O)NC(=O)CCC(=O)O
InChIInChI1.03 InChI=1S/C22H32N3O8P/c1-14(2)20(23-17(26)10-11-19(27)28)22(30)25-12-6-9-16(25)21(29)24-18(34(31,32)33)13-15-7-4-3-5-8-15/h3-5,7-8,14,16,18,20H,6,9-13H2,1-2H3,(H,23,26)(H,24,29)(H,27,28)(H2,31,32,33)/t16-,18-,20-/m0/s1
InChIKeyInChI1.03 KPGFVOVOBVGIMY-QRFRQXIXSA-N

Related Resource References

Resource NameReference
PubChem 137350127