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brevianamide F

brevianamide F

CAS: 38136-70-8

Formula: C16H17N3O2

SMILES: [H][C@@]12CCCN1C(=O)[C@H](CC1=CNC3=CC=CC=C13)NC2=O

IUPAC: (3S,8aS)-3-[(1H-indol-3-yl)methyl]-octahydropyrrolo[1,2-a]pyrazine-1,4-dione

InChI: InChI=1S/C16H17N3O2/c20-15-14-6-3-7-19(14)16(21)13(18-15)8-10-9-17-12-5-2-1-4-11(10)12/h1-2,4-5,9,13-14,17H,3,6-8H2,(H,18,20)/t13-,14+/m0/s1

Composition: C (67.83%), H (6.05%), N (14.83%), O (11.29%)

Molar Mass: 283.331

Atom Count: 38

Heavy Atom Count: 21

Properties
Properties
Common Names brevianamide F
Aromatic Ring Count 2
Asymmetric Atom Count 2
Exact Mass 283.132076799
Formal Charge 0
FSP3 0.37
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey RYFZBPVMVYTEKZ-KBPBESRZSA-N
Lipinski's Rule of Five 1
Molar Refractivity 77.99
Topological Polar Surface Area 65.2
Polarizability 31.22
Ring Count 4
Rotatable Bond Count 2

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