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LSM-12191

PropertiesImage
MNX_IDMNXM528428 Image of MNXM528428
referencechebi:100817
formulaC34H39N3O4
global charge0
mol weight553.703
InChIKeyBENJSVFNXVDSQO-BOYVUMAVSA-N
InChIInChI=1S/C34H39N3O4/c1-23-19-37(24(2)21-38)34(40)33-32(28-16-10-11-17-29(28)36(33)4)27-15-9-8-14-26(27)22-41-30(23)20-35(3)31(39)18-25-12-6-5-7-13-25/h5-17,23-24,30,38H,18-22H2,1-4H3/t23-,24-,30-/m1/s1
SMILESC[C@@H]1CN([C@H](C)CO)C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)CC1=CC=CC=C1)C1=CC=CC=C1N2C
MNX internals
InChI (mnx)InChI=1/C34H39N3O4/c1-23-19-37(24(2)21-38)34(40)33-32(28-16-10-11-17-29(28)36(33)4)27-15-9-8-14-26(27)22-41-30(23)20-35(3)31(39)18-25-12-6-5-7-13-25/h5-17,23-24,30,38H,18-22H2,1-4H3/t23-,24-,30-/m1/s1 Image of MNXM528428
SMILES (mnx)[CH3:1][C@@H:23]1[CH2:19][N:37]([C@H:24]([CH3:2])[CH2:21][OH:38])[C:34](=[O:40])[C:33]2=[C:32]([C:27]3=[CH:15][CH:9]=[CH:8][CH:14]=[C:26]3[CH2:22][O:41][C@@H:30]1[CH2:20][N:35]([CH3:3])[C:31]([CH2:18][C:25]1=[CH:12][CH:6]=[CH:5][CH:7]=[CH:13]1)=[O:39])[C:28]1=[CH:16][CH:10]=[CH:11][CH:17]=[C:29]1[N:36]2[CH3:4]
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:100817
chebi:100817
BENJSVFNXVDSQO-BOYVUMAVSA-N 		LSM-12191