Catalog Number:
AG00ABRM
Chemical Name:
Fumarate hydratase-IN-1
CAS Number:
1644060-37-6
Molecular Formula:
C27H30N2O4
Molecular Weight:
446.5381
MDL Number:
MFCD30187520
IUPAC Name:
ethyl (3aR)-3-[2-(methylamino)-2-oxoethyl]-2-oxo-1-[(4-phenylphenyl)methyl]-3,4,5,6-tetrahydroindole-3a-carboxylate
InChI:
InChI=1S/C27H30N2O4/c1-3-33-26(32)27-16-8-7-11-23(27)29(25(31)22(27)17-24(30)28-2)18-19-12-14-21(15-13-19)20-9-5-4-6-10-20/h4-6,9-15,22H,3,7-8,16-18H2,1-2H3,(H,28,30)/t22?,27-/m1/s1
InChI Key:
VFGLXHHVYNTCPD-RZIURPKCSA-N
SMILES:
CCOC(=O)[C@]12CCCC=C2N(C(=O)[C@H]1CC(=O)NC)Cc1ccc(cc1)c1ccccc1
