Phidianidine B

CAS	1301638-42-5
Description	Phidianidine B is a highly cytotoxic 1,2,4-oxadiazole marine metabolite.
IUPAC Name	2-[5-[[5-(1H-Indol-3-ylmethyl)-1,2,4-oxadiazol-3-yl]amino]pentyl]guanidine
Molecular Weight	341.4
Canonical SMILES	C1=CC=C2C(=C1)C(=CN2)CC3=NC(=NO3)NCCCCCN=C(N)N
InChI	InChI=1S/C17H23N7O/c18-16(19)20-8-4-1-5-9-21-17-23-15(25-24-17)10-12-11-22-14-7-3-2-6-13(12)14/h2-3,6-7,11,22H,1,4-5,8-10H2,(H,21,24)(H4,18,19,20)
InChI Key	DDXQZNQMFITAGA-UHFFFAOYSA-N
Purity	95%+
Complexity	429
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Exact Mass	341.19640838
Heavy Atom Count	25
Monoisotopic Mass	341.19640838
Physical State	Powder
Storage Conditions	Powder: -20°C for 3 years In solvent: -80°C for 2 years
Topological Polar Surface Area	131 Ų