Chemical Component Summary

NameBENZOYLAMINO-BENZYL-METHYL-[2-HYDROXY-3-[1-METHYL-ETHYL-OXY-N-FORMAMIDYL]-4-PHENYL-BUTYL]-AMMONIUM
Identifiers(R)-benzamido-[(2S,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenyl-butyl]-methyl-(phenylmethyl)azanium
FormulaC30 H38 N3 O4
Molecular Weight504.64
TypeNON-POLYMER
Isomeric SMILESCC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](C[N@@+](C)(Cc2ccccc2)NC(=O)c3ccccc3)O
InChIInChI=1S/C30H37N3O4/c1-30(2,3)37-29(36)31-26(20-23-14-8-5-9-15-23)27(34)22-33(4,21-24-16-10-6-11-17-24)32-28(35)25-18-12-7-13-19-25/h5-19,26-27,34H,20-22H2,1-4H3,(H-,31,32,35,36)/p+1/t26-,27-,33+/m0/s1
InChIKeyKTCIZECZUWZDHY-ZTMGNVKNSA-O

Chemical Details

Formal Charge1
Atom Count75
Chiral Atom Count3
Bond Count77
Aromatic Bond Count18

Related Resource References

Resource NameReference
PubChem 449438