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LSM-14667

PropertiesImage
MNX_IDMNXM528944 Image of MNXM528944
referencechebi:103323
formulaC28H29N5O4
global charge0
mol weight499.571
InChIKeyGAGDVGIWPFJCDU-SBFQEZKYSA-N
InChIInChI=1S/C28H29N5O4/c1-3-7-19-10-11-23-24-20(15-32(23)27(19)36)21(16-34)25(33(24)28(37)22-14-29-12-13-30-22)26(35)31-17(2)18-8-5-4-6-9-18/h3-14,17,20-21,24-25,34H,15-16H2,1-2H3,(H,31,35)/t17-,20+,21+,24-,25+/m1/s1
SMILESCC=CC1=CC=C2[C@H]3[C@@H](CN2C1=O)[C@H](CO)[C@@H](C(=O)N[C@H](C)C1=CC=CC=C1)N3C(=O)C1=NC=CN=C1
MNX internals
InChI (mnx)InChI=1/C28H29N5O4/c1-3-7-19-10-11-23-24-20(15-32(23)27(19)36)21(16-34)25(33(24)28(37)22-14-29-12-13-30-22)26(35)31-17(2)18-8-5-4-6-9-18/h3-14,17,20-21,24-25,34H,15-16H2,1-2H3,(H,31,35)/b7-3?/t17-,20+,21+,24-,25+/m1/s1 Image of MNXM528944
SMILES (mnx)[CH3:1][CH:3]=[CH:7][C:19]1=[CH:10][CH:11]=[C:23]2[C@H:24]3[C@@H:20]([CH2:15][N:32]2[C:27]1=[O:36])[C@H:21]([CH2:16][OH:34])[C@@H:25]([C:26](=[N:31][C@H:17]([CH3:2])[C:18]1=[CH:8][CH:5]=[CH:4][CH:6]=[CH:9]1)[OH:35])[N:33]3[C:28]([C:22]1=[N:30][CH:13]=[CH:12][N:29]=[CH:14]1)=[O:37]
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:103323
chebi:103323
GAGDVGIWPFJCDU-SBFQEZKYSA-N 		LSM-14667