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maremycin G

PropertiesImage
MNX_IDMNXM1128788 Image of MNXM1128788
referencechebi:167566
formulaC22H21N3O3S
global charge0
mol weight407.495
InChIKeyNRFFIDZDMKFXMS-FAYKFVSFSA-N
InChIInChI=1S/C22H21N3O3S/c1-11-18-19(23-14(10-29-3)20(27)24-18)17-13(8-9-16(17)26)22(11)12-6-4-5-7-15(12)25(2)21(22)28/h4-7,11H,8-10H2,1-3H3,(H,24,27)/t11-,22?/m1/s1
SMILESCSCC1=NC2=C(NC1=O)[C@@H](C)C1(C(=O)N(C)C3=CC=CC=C31)C1=C2C(=O)CC1
MNX internals
InChI (mnx)InChI=1/C22H21N3O3S/c1-11-18-19(23-14(10-29-3)20(27)24-18)17-13(8-9-16(17)26)22(11)12-6-4-5-7-15(12)25(2)21(22)28/h4-7,11H,8-10H2,1-3H3,(H,24,27)/t11-,22?/m1/s1 Image of MNXM1128788
SMILES (mnx)[CH3:1][C@@H:11]1[C:18]2=[C:19]([C:17]3=[C:13]([CH2:8][CH2:9][C:16]3=[O:26])[C:22]13[C:12]1=[CH:6][CH:4]=[CH:5][CH:7]=[C:15]1[N:25]([CH3:2])[C:21]3=[O:28])[N:23]=[C:14]([CH2:10][S:29][CH3:3])[C:20](=[O:27])[NH:24]2
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:167566
chebi:167566
NRFFIDZDMKFXMS-FAYKFVSFSA-N 		maremycin G
(5S)-1',5-dimethyl-2-[(methylsulfanyl)methyl]-1',2',3,4,5,7,8,9-octahydrospiro[cyclopenta[f]quinoxaline-6,3'- indole]-2',3,9-trione
(5S)-1',5-dimethyl-2-[(methylsulfanyl)methyl]-4,5,7,8-tetrahydrospiro[cyclopenta[f]quinoxaline-6,3'-indole]-2',3,9-trione
(5S)-1',5-dimethyl-2-[(methylsulfanyl)methyl]-7,8-dihydrospiro[cyclopenta[f]quinoxaline-6,3'-indole]-2',3,9(1'H,4H,5H)-trione