Chemical Component Summary

Name(2S)-2-[[2-methanoyl-7-(methoxycarbonylamino)indolizin-3-yl]amino]-3-methyl-3-sulfino-butanoic acid
Identifiers(2S)-2-[[2-methanoyl-7-(methoxycarbonylamino)indolizin-3-yl]amino]-3-methyl-3-sulfino-butanoic acid
FormulaC16 H19 N3 O7 S
Molecular Weight397.403
TypeNON-POLYMER
Isomeric SMILESCC(C)([C@H](C(=O)O)Nc1c(cc2n1ccc(c2)NC(=O)OC)C=O)[S@](=O)O
InChIInChI=1S/C16H19N3O7S/c1-16(2,27(24)25)12(14(21)22)18-13-9(8-20)6-11-7-10(4-5-19(11)13)17-15(23)26-3/h4-8,12,18H,1-3H3,(H,17,23)(H,21,22)(H,24,25)/t12-/m0/s1
InChIKeyNSEWARQIMLZRTO-LBPRGKRZSA-N

Chemical Details

Formal Charge0
Atom Count46
Chiral Atom Count2
Bond Count47
Aromatic Bond Count10

Related Resource References

Resource NameReference
PubChem 49867348