Search MNXref
 Feedback

LSM-30698

PropertiesImage
MNX_IDMNXM529444 Image of MNXM529444
referencechebi:119249
formulaC32H37N3O5S
global charge0
mol weight575.731
InChIKeyNMPUNVMUZNPCOO-SGQNLQFHSA-N
InChIInChI=1S/C32H37N3O5S/c1-22-18-35(23(2)20-36)32(37)31-30(27-16-10-11-17-28(27)34(31)4)26-15-9-8-12-24(26)21-40-29(22)19-33(3)41(38,39)25-13-6-5-7-14-25/h5-17,22-23,29,36H,18-21H2,1-4H3/t22-,23-,29+/m1/s1
SMILESC[C@@H]1CN([C@H](C)CO)C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)S(=O)(=O)C1=CC=CC=C1)C1=CC=CC=C1N2C
MNX internals
InChI (mnx)InChI=1/C32H37N3O5S/c1-22-18-35(23(2)20-36)32(37)31-30(27-16-10-11-17-28(27)34(31)4)26-15-9-8-12-24(26)21-40-29(22)19-33(3)41(38,39)25-13-6-5-7-14-25/h5-17,22-23,29,36H,18-21H2,1-4H3/t22-,23-,29+/m1/s1 Image of MNXM529444
SMILES (mnx)[CH3:1][C@@H:22]1[CH2:18][N:35]([C@H:23]([CH3:2])[CH2:20][OH:36])[C:32](=[O:37])[C:31]2=[C:30]([C:26]3=[CH:15][CH:9]=[CH:8][CH:12]=[C:24]3[CH2:21][O:40][C@H:29]1[CH2:19][N:33]([CH3:3])[S:41]([C:25]1=[CH:13][CH:6]=[CH:5][CH:7]=[CH:14]1)(=[O:38])=[O:39])[C:27]1=[CH:16][CH:10]=[CH:11][CH:17]=[C:28]1[N:34]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:119249
chebi:119249
NMPUNVMUZNPCOO-SGQNLQFHSA-N 		LSM-30698