Ditryptophenaline

Catalog Number	ACM64947439
CAS Number	64947-43-9
Molecular Weight	692.8
InChI	InChI=1S/C42H40N6O4/c1-45-31(21-25-13-5-3-6-14-25)37(51)47-33(35(45)49)23-41(27-17-9-11-19-29(27)43-39(41)47)42-24-34-36(50)46(2)32(22-26-15-7-4-8-16-26)38(52)48(34)40(42)44-30-20-12-10-18-28(30)42/h3-20,31-34,39-40,43-44H,21-24H2,1-2H3/t31-,32-,33-,34-,39-,40-,41+,42+/m0/s1
InChI Key	IQIGYVQQRKFGLN-HSYVCWSSSA-N
Purity	95%+
Complexity	1370
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	8
Exact Mass	692.31110378
Heavy Atom Count	52
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isomeric SMILES	CN1[C@H](C(=O)N2[C@H](C1=O)C[C@@]3([C@H]2NC4=CC=CC=C43)[C@@]56C[C@H]7C(=O)N([C@H](C(=O)N7[C@@H]5NC8=CC=CC=C68)CC9=CC=CC=C9)C)CC1=CC=CC=C1
Monoisotopic Mass	692.31110378
PhysicalState	Powder
Rotatable Bond Count	5
Topological Polar Surface Area	105 Ų

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