Chemical Component Summary

NameN~2~-[(1S)-1-carboxy-3-phenylpropyl]-L-lysyl-D-tryptophan
Identifiers(2S)-2-[[(2S)-6-amino-1-[[(2R)-1-hydroxy-3-(1H-indol-3-yl)-1-oxo-propan-2-yl]amino]-1-oxo-hexan-2-yl]amino]-4-phenyl-butanoic acid
FormulaC27 H34 N4 O5
Molecular Weight494.583
TypeNON-POLYMER
Isomeric SMILESc1ccc(cc1)CC[C@@H](C(=O)O)N[C@@H](CCCCN)C(=O)N[C@H](Cc2c[nH]c3c2cccc3)C(=O)O
InChIInChI=1S/C27H34N4O5/c28-15-7-6-12-22(30-23(26(33)34)14-13-18-8-2-1-3-9-18)25(32)31-24(27(35)36)16-19-17-29-21-11-5-4-10-20(19)21/h1-5,8-11,17,22-24,29-30H,6-7,12-16,28H2,(H,31,32)(H,33,34)(H,35,36)/t22-,23-,24+/m0/s1
InChIKeyJXNGDSIPMBNTNL-KMDXXIMOSA-N
CompositionPolymer Sequences: CLT-LYS-TRP
BIRD classENZYME INHIBITOR
Represented AsSINGLE MOLECULE
Compound Detailsn/a
Descriptionn/a

Chemical Details

Formal Charge0
Atom Count70
Chiral Atom Count3
Bond Count72
Aromatic Bond Count16

Related Resource References

Resource NameReference
PubChem 45480144, 72199504