Catalog Number:
AG01EIP6
Chemical Name:
acetic acid, rac-tert-butyl N-[(1r,4r)-4-carbamimidoylcyclohexyl]carbamate, trans
CAS Number:
2137033-49-7
Molecular Formula:
C14H27N3O4
Molecular Weight:
301.3819
MDL Number:
MFCD31628993
IUPAC Name:
acetic acid;tert-butyl N-(4-carbamimidoylcyclohexyl)carbamate
InChI:
InChI=1S/C12H23N3O2.C2H4O2/c1-12(2,3)17-11(16)15-9-6-4-8(5-7-9)10(13)14;1-2(3)4/h8-9H,4-7H2,1-3H3,(H3,13,14)(H,15,16);1H3,(H,3,4)
InChI Key:
MXKQKNNKJGSGGF-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)N[C@@H]1CC[C@H](CC1)C(=N)N.CC(=O)O
