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dragomabin

PropertiesImage
MNX_IDMNXM104706 Image of MNXM104706
referencechebi:65583
formulaC37H51N5O6
global charge0
mol weight661.844
InChIKeyJAYHQHZOWYDLDQ-PONGSQKHSA-N
InChIInChI=1S/C37H51N5O6/c1-9-10-11-13-16-25(2)35(45)42(7)32(24-28-17-14-12-15-18-28)34(44)39-26(3)36(46)40(5)27(4)37(47)41(6)31(33(38)43)23-29-19-21-30(48-8)22-20-29/h1,12,14-15,17-22,25-27,31-32H,10-11,13,16,23-24H2,2-8H3,(H2,38,43)(H,39,44)/t25-,26-,27-,31-,32-/m0/s1
SMILESC#CCCCC[C@H](C)C(=O)N(C)[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](C)C(=O)N(C)[C@@H](C)C(=O)N(C)[C@@H](CC1=CC=C(OC)C=C1)C(N)=O
MNX internals
InChI (mnx)InChI=1/C37H51N5O6/c1-9-10-11-13-16-25(2)35(45)42(7)32(24-28-17-14-12-15-18-28)34(44)39-26(3)36(46)40(5)27(4)37(47)41(6)31(33(38)43)23-29-19-21-30(48-8)22-20-29/h1,12,14-15,17-22,25-27,31-32H,10-11,13,16,23-24H2,2-8H3,(H2,38,43)(H,39,44)/t25-,26-,27-,31-,32-/m0/s1 Image of MNXM104706
SMILES (mnx)[CH:1]#[C:9][CH2:10][CH2:11][CH2:13][CH2:16][C@H:25]([CH3:2])[C:35]([N:42]([CH3:7])[C@@H:32]([CH2:24][C:28]1=[CH:17][CH:14]=[CH:12][CH:15]=[CH:18]1)[C:34](=[N:39][C@@H:26]([CH3:3])[C:36]([N:40]([CH3:5])[C@@H:27]([CH3:4])[C:37]([N:41]([CH3:6])[C@@H:31]([CH2:23][C:29]1=[CH:20][CH:22]=[C:30]([O:48][CH3:8])[CH:21]=[CH:19]1)[C:33](=[NH:38])[OH:43])=[O:47])=[O:46])[OH:44])=[O:45]
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:65583
chebi:65583
JAYHQHZOWYDLDQ-PONGSQKHSA-N 		dragomabin
N-methyl-N-[(2S)-2-methyloct-7-ynoyl]-L-phenylalanyl-L-alanyl-N-methyl-L-alanyl-Nalpha,O-dimethyl-L-tyrosinamide