Search MNXref
 Feedback

dermaseptin s3(1-16)-NH2

PropertiesImage
MNX_IDMNXM155168 Image of MNXM155168
referencechebi:82640
formulaC80H139N23O17S
global charge0
mol weight1727.203
InChIKeyLZPCCPJTDUTSAB-GJZSFHTDSA-N
InChIInChI=1S/C80H139N23O17S/c1-12-47(8)67(80(120)91-42-65(106)94-55(27-17-21-32-83)72(112)99-58(35-44(2)3)75(115)92-49(10)70(110)89-41-64(105)93-53(68(87)108)25-15-19-30-81)103-66(107)43-90-71(111)54(26-16-20-31-82)95-76(116)60(37-46(6)7)100-74(114)57(29-34-121-11)97-79(119)62(39-63(86)104)102-73(113)56(28-18-22-33-84)96-78(118)61(38-50-40-88-52-24-14-13-23-51(50)52)101-77(117)59(36-45(4)5)98-69(109)48(9)85/h13-14,23-24,40,44-49,53-62,67,88H,12,15-22,25-39,41-43,81-85H2,1-11H3,(H2,86,104)(H2,87,108)(H,89,110)(H,90,111)(H,91,120)(H,92,115)(H,93,105)(H,94,106)(H,95,116)(H,96,118)(H,97,119)(H,98,109)(H,99,112)(H,100,114)(H,101,117)(H,102,113)(H,103,107)/t47-,48-,49-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,67-/m0/s1
SMILESCC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC1=CNC2=C1C=CC=C2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)N)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCCCN)C(N)=O
MNX internals
InChI (mnx)InChI=1/C80H139N23O17S/c1-12-47(8)67(80(120)91-42-65(106)94-55(27-17-21-32-83)72(112)99-58(35-44(2)3)75(115)92-49(10)70(110)89-41-64(105)93-53(68(87)108)25-15-19-30-81)103-66(107)43-90-71(111)54(26-16-20-31-82)95-76(116)60(37-46(6)7)100-74(114)57(29-34-121-11)97-79(119)62(39-63(86)104)102-73(113)56(28-18-22-33-84)96-78(118)61(38-50-40-88-52-24-14-13-23-51(50)52)101-77(117)59(36-45(4)5)98-69(109)48(9)85/h13-14,23-24,40,44-49,53-62,67,88H,12,15-22,25-39,41-43,81-85H2,1-11H3,(H2,86,104)(H2,87,108)(H,89,110)(H,90,111)(H,91,120)(H,92,115)(H,93,105)(H,94,106)(H,95,116)(H,96,118)(H,97,119)(H,98,109)(H,99,112)(H,100,114)(H,101,117)(H,102,113)(H,103,107)/t47-,48-,49-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,67-/m0/s1 Image of MNXM155168
SMILES (mnx)[CH3:1][CH2:12][C@H:47]([CH3:8])[C@@H:67]([C:80](=[N:91][CH2:42][C:65](=[N:94][C@@H:55]([CH2:27][CH2:17][CH2:21][CH2:32][NH2:83])[C:72](=[N:99][C@@H:58]([CH2:35][CH:44]([CH3:2])[CH3:3])[C:75](=[N:92][C@@H:49]([CH3:10])[C:70](=[N:89][CH2:41][C:64](=[N:93][C@@H:53]([CH2:25][CH2:15][CH2:19][CH2:30][NH2:81])[C:68](=[NH:87])[OH:108])[OH:105])[OH:110])[OH:115])[OH:112])[OH:106])[OH:120])[N:103]=[C:66]([CH2:43][N:90]=[C:71]([C@H:54]([CH2:26][CH2:16][CH2:20][CH2:31][NH2:82])[N:95]=[C:76]([C@H:60]([CH2:37][CH:46]([CH3:6])[CH3:7])[N:100]=[C:74]([C@H:57]([CH2:29][CH2:34][S:121][CH3:11])[N:97]=[C:79]([C@H:62]([CH2:39][C:63](=[NH:86])[OH:104])[N:102]=[C:73]([C@H:56]([CH2:28][CH2:18][CH2:22][CH2:33][NH2:84])[N:96]=[C:78]([C@H:61]([CH2:38][C:50]1=[CH:40][NH:88][C:52]2=[CH:24][CH:14]=[CH:13][CH:23]=[C:51]12)[N:101]=[C:77]([C@H:59]([CH2:36][CH:45]([CH3:4])[CH3:5])[N:98]=[C:69]([C@H:48]([CH3:9])[NH2:85])[OH:109])[OH:117])[OH:118])[OH:113])[OH:119])[OH:114])[OH:116])[OH:111])[OH:107]
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:82640
chebi:82640
LZPCCPJTDUTSAB-GJZSFHTDSA-N 		dermaseptin s3(1-16)-NH2
ALWKNMLKGIGKLAGK-NH2
Ala-Leu-Trp-Lys-Asn-Met-Leu-Lys-Gly-Ile-Gly-Lys-Leu-Ala-Gly-Lys-NH2
L-Ala-L-Leu-L-Trp-L-Lys-L-Asn-L-Met-L-Leu-L-Lys-Gly-L-Ile-Gly-L-Lys-L-Leu-L-Ala-Gly-L-Lys-NH2
L-alanyl-L-leucyl-L-tryptophyl-L-lysyl-L-asparaginyl-L-methionyl-L-leucyl-L-lysylglycyl-L-isoleucylglycyl-L-lysyl-L-leucyl-L-alanylglycyl-L-lysinamide