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LSM-13399

PropertiesImage
MNX_IDMNXM528638 Image of MNXM528638
referencechebi:102039
formulaC32H42N4O4
global charge0
mol weight546.712
InChIKeyQNPXTRYBNJAKIP-SHRQFBHGSA-N
InChIInChI=1S/C32H42N4O4/c1-21-17-36(22(2)19-37)32(39)30-29(25-13-8-9-14-26(25)35(30)5)24-12-7-6-11-23(24)20-40-28(21)18-34(4)31(38)27-15-10-16-33(27)3/h6-9,11-14,21-22,27-28,37H,10,15-20H2,1-5H3/t21-,22-,27+,28+/m0/s1
SMILESC[C@H]1CN([C@@H](C)CO)C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)[C@H]1CCCN1C)C1=CC=CC=C1N2C
MNX internals
InChI (mnx)InChI=1/C32H42N4O4/c1-21-17-36(22(2)19-37)32(39)30-29(25-13-8-9-14-26(25)35(30)5)24-12-7-6-11-23(24)20-40-28(21)18-34(4)31(38)27-15-10-16-33(27)3/h6-9,11-14,21-22,27-28,37H,10,15-20H2,1-5H3/t21-,22-,27+,28+/m0/s1 Image of MNXM528638
SMILES (mnx)[CH3:1][C@H:21]1[CH2:17][N:36]([C@@H:22]([CH3:2])[CH2:19][OH:37])[C:32](=[O:39])[C:30]2=[C:29]([C:24]3=[CH:12][CH:7]=[CH:6][CH:11]=[C:23]3[CH2:20][O:40][C@@H:28]1[CH2:18][N:34]([CH3:4])[C:31]([C@H:27]1[CH2:15][CH2:10][CH2:16][N:33]1[CH3:3])=[O:38])[C:25]1=[CH:13][CH:8]=[CH:9][CH:14]=[C:26]1[N:35]2[CH3:5]
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:102039
chebi:102039
QNPXTRYBNJAKIP-SHRQFBHGSA-N 		LSM-13399