5XP

(2~{S})-3-[5-[2-[[3-(aminomethyl)phenyl]methyl]-1,2,3,4-tetrazol-5-yl]-3-oxidanyl-1,2-oxazol-4-yl]-2-azanyl-propanoic acid


Toggle HydrogenToggle Labels

Chemical Component Summary

Name(2~{S})-3-[5-[2-[[3-(aminomethyl)phenyl]methyl]-1,2,3,4-tetrazol-5-yl]-3-oxidanyl-1,2-oxazol-4-yl]-2-azanyl-propanoic acid
Identifiers(2~{S})-3-[5-[2-[[3-(aminomethyl)phenyl]methyl]-1,2,3,4-tetrazol-5-yl]-3-oxidanyl-1,2-oxazol-4-yl]-2-azanyl-propanoic acid
FormulaC15 H17 N7 O4
Molecular Weight359.34
TypeNON-POLYMER
Isomeric SMILESc1cc(cc(c1)Cn2nc(nn2)c3c(c(no3)O)C[C@@H](C(=O)O)N)CN
InChIInChI=1S/C15H17N7O4/c16-6-8-2-1-3-9(4-8)7-22-19-13(18-21-22)12-10(14(23)20-26-12)5-11(17)15(24)25/h1-4,11H,5-7,16-17H2,(H,20,23)(H,24,25)/t11-/m0/s1
InChIKeyRVAKWTBISFVYTO-NSHDSACASA-N

Chemical Details

Formal Charge0
Atom Count43
Chiral Atom Count1
Bond Count45
Aromatic Bond Count16

Related Resource References

Resource NameReference
PubChem 118704914
ChEMBL CHEMBL3786901