Chemical Component Summary

Name[(2S,3R)-1-{[(4S)-1-(2-aminoethyl)azepan-4-yl]carbamoyl}-2-formylpyrrolidin-3-yl]sulfamic acid
Identifiers[(2S,3R)-1-[[(1S,4S)-1-(2-azanylethyl)azepan-4-yl]carbamoyl]-2-methanoyl-pyrrolidin-3-yl]sulfamic acid
FormulaC14 H27 N5 O5 S
Molecular Weight377.46
TypeNON-POLYMER
Isomeric SMILESC1C[C@@H](CC[N@](C1)CCN)NC(=O)N2CC[C@H]([C@H]2C=O)NS(=O)(=O)O
InChIInChI=1S/C14H27N5O5S/c15-5-9-18-6-1-2-11(3-7-18)16-14(21)19-8-4-12(13(19)10-20)17-25(22,23)24/h10-13,17H,1-9,15H2,(H,16,21)(H,22,23,24)/t11-,12+,13+/m0/s1
InChIKeyFVHVSTMGNMLCNC-YNEHKIRRSA-N

Chemical Details

Formal Charge0
Atom Count52
Chiral Atom Count3
Bond Count53
Aromatic Bond Count0

Related Resource References

Resource NameReference
PubChem 53324281