C20

ACETYL-NH-VAL-CYCLOHEXYL-CH2[NCH2CHOH]CH2-BENZYL-VAL-NH-ACETYL


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Chemical Component Summary

NameACETYL-NH-VAL-CYCLOHEXYL-CH2[NCH2CHOH]CH2-BENZYL-VAL-NH-ACETYL
SynonymsCGP 53820
Identifiers(2S)-2-acetamido-N-[(2S,3S)-4-[[[(2S)-2-acetamido-3-methyl-butanoyl]amino]-(cyclohexylmethyl)amino]-3-hydroxy-1-phenyl-butan-2-yl]-3-methyl-butanamide
FormulaC31 H51 N5 O5
Molecular Weight573.767
TypeNON-POLYMER
Isomeric SMILESCC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](C[N@](CC2CCCCC2)NC(=O)[C@H](C(C)C)NC(=O)C)O)NC(=O)C
InChIInChI=1S/C31H51N5O5/c1-20(2)28(32-22(5)37)30(40)34-26(17-24-13-9-7-10-14-24)27(39)19-36(18-25-15-11-8-12-16-25)35-31(41)29(21(3)4)33-23(6)38/h7,9-10,13-14,20-21,25-29,39H,8,11-12,15-19H2,1-6H3,(H,32,37)(H,33,38)(H,34,40)(H,35,41)/t26-,27-,28-,29-/m0/s1
InChIKeyJNBVLGDICHLLTN-DZUOILHNSA-N

Chemical Details

Formal Charge0
Atom Count92
Chiral Atom Count4
Bond Count93
Aromatic Bond Count6

Related Resource References

Resource NameReference
Pharos CHEMBL94797
PubChem 65023
ChEMBL CHEMBL94797