Chemical Component Summary

NameGC376
SynonymsGC376
Identifiers(1S,2S)-2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-1-oxidanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propane-1-sulfonic acid
FormulaC21 H31 N3 O8 S
Molecular Weight485.551
TypePEPTIDE-LIKE
Isomeric SMILESCC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@@H](O)S(=O)(=O)O)NC(=O)OCc2ccccc2
InChIInChI=1S/C21H31N3O8S/c1-13(2)10-16(24-21(28)32-12-14-6-4-3-5-7-14)19(26)23-17(20(27)33(29,30)31)11-15-8-9-22-18(15)25/h3-7,13,15-17,20,27H,8-12H2,1-2H3,(H,22,25)(H,23,26)(H,24,28)(H,29,30,31)/t15-,16-,17-,20?/m0/s1
InChIKeyBSPZFJDYQHDZNR-HTCLRFROSA-N
CompositionPolymer Sequences: PHQ-LEU-04F
BIRD classINHIBITOR
Represented AsSINGLE MOLECULE
Compound Detailsn/a
Descriptionn/a

Chemical Details

Formal Charge0
Atom Count64
Chiral Atom Count4
Bond Count65
Aromatic Bond Count6

Related Resource References

Resource NameReference
PubChem 137349627