Molecule

(1S,4S,7S,9R)-9-hydroxy-4-(2-methylsulfanylethyl)-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione

Chemical Information

Molecular Image

InChI	InChI=1S/C16H19N3O3S/c1-23-7-6-11-14(21)19-12(13(20)17-11)8-16(22)9-4-2-3-5-10(9)18-15(16)19/h2-5,11-12,15,18,22H,6-8H2,1H3,(H,17,20)/t11-,12-,15-,16+/m0/s1
SMILES	CSCC[C@@H]1NC(=O)[C@@H]2C[C@@]3(O)C4=CC=CC=C4N[C@H]3N2C1=O
InChI Key	ALNWVOBRFCMSET-GVAFMPQTSA-N

6 Related Dataset(s) ⌄

(3S,5aS,10bR,11aS)-10b-hydroxy-3-(2-(methylthio)ethyl)-2,3,6,10b,11,11a-hexahydro-4H-pyrazino[1',2'1,5]pyrrolo[2,3-b]indole-1,4(5aH)-dione[5b 13C.jdf]

(3S,5aS,10bR,11aS)-10b-hydroxy-3-(2-(methylthio)ethyl)-2,3,6,10b,11,11a-hexahydro-4H-pyrazino[1',2'1,5]pyrrolo[2,3-b]indole-1,4(5aH)-dione[5b 1H.jdf]

(3S,5aS,10bR,11aS)-10b-hydroxy-3-(2-(methylthio)ethyl)-2,3,6,10b,11,11a-hexahydro-4H-pyrazino[1',2'1,5]pyrrolo[2,3-b]indole-1,4(5aH)-dione[5b COSY.jdf]

(3S,5aS,10bR,11aS)-10b-hydroxy-3-(2-(methylthio)ethyl)-2,3,6,10b,11,11a-hexahydro-4H-pyrazino[1',2'1,5]pyrrolo[2,3-b]indole-1,4(5aH)-dione[5b HMBC.jdf]

(3S,5aS,10bR,11aS)-10b-hydroxy-3-(2-(methylthio)ethyl)-2,3,6,10b,11,11a-hexahydro-4H-pyrazino[1',2'1,5]pyrrolo[2,3-b]indole-1,4(5aH)-dione[5b HSQC.jdf]

(3S,5aS,10bR,11aS)-10b-hydroxy-3-(2-(methylthio)ethyl)-2,3,6,10b,11,11a-hexahydro-4H-pyrazino[1',2'1,5]pyrrolo[2,3-b]indole-1,4(5aH)-dione[5b NOESY.jdf]

Metadata Information

Field	Value
NFDI4Chem Molecule ID	nfdi4chem-mol8627
Source
Alternate Name

Field	Value
No additional information available for this Dataset.

Data-Source Molecule ID	Data-Source
CHEMBL5434146	chembl
172467795	pubchem
The data in this table is sourced from UniChem at EBI.