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D-Arginyl-L-arginyl-D-glutaminyl-L-phenylalanine

PropertiesImage
MNX_IDMNXM1103555 Image of MNXM1103555
referencechebi:177679
formulaC26H43N11O6
global charge0
mol weight605.701
InChIKeyYTMBNLHIDIKJIU-HCXYKTFWSA-N
InChIInChI=1S/C26H43N11O6/c27-16(8-4-12-33-25(29)30)21(39)35-17(9-5-13-34-26(31)32)22(40)36-18(10-11-20(28)38)23(41)37-19(24(42)43)14-15-6-2-1-3-7-15/h1-3,6-7,16-19H,4-5,8-14,27H2,(H2,28,38)(H,35,39)(H,36,40)(H,37,41)(H,42,43)(H4,29,30,33)(H4,31,32,34)/t16-,17+,18-,19+/m1/s1
SMILESNC(=O)CC[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](N)CCCN=C(N)N)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O
MNX internals
InChI (mnx)InChI=1/C26H43N11O6/c27-16(8-4-12-33-25(29)30)21(39)35-17(9-5-13-34-26(31)32)22(40)36-18(10-11-20(28)38)23(41)37-19(24(42)43)14-15-6-2-1-3-7-15/h1-3,6-7,16-19H,4-5,8-14,27H2,(H2,28,38)(H,35,39)(H,36,40)(H,37,41)(H,42,43)(H4,29,30,33)(H4,31,32,34)/t16-,17+,18-,19+/m1/s1 Image of MNXM1103555
SMILES (mnx)[CH:1]1=[CH:2][CH:6]=[C:15]([CH2:14][C@@H:19]([C:24](=[O:42])[OH:43])[N:37]=[C:23]([C@@H:18]([CH2:10][CH2:11][C:20](=[NH:28])[OH:38])[N:36]=[C:22]([C@H:17]([CH2:9][CH2:5][CH2:13][NH:34][C:26](=[NH:31])[NH2:32])[N:35]=[C:21]([C@@H:16]([CH2:8][CH2:4][CH2:12][NH:33][C:25](=[NH:29])[NH2:30])[NH2:27])[OH:39])[OH:40])[OH:41])[CH:7]=[CH:3]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:177679
chebi:177679
YTMBNLHIDIKJIU-HCXYKTFWSA-N 		D-Arginyl-L-arginyl-D-glutaminyl-L-phenylalanine
(2S)-2-[[(2R)-5-amino-2-[[(2S)-2-[[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-oxopentanoyl]amino]-3-phenylpropanoic acid

bigg.metabolite:CE4754
biggM:CE4754
YTMBNLHIDIKJIU-HCXYKTFWSA-P 		Dynorphin B (6-9)
hmdb:HMDB0012937
YTMBNLHIDIKJIU-HCXYKTFWSA-N 		Dynorphin B (6-9)
(2S)-2-[(2R)-2-[(2S)-2-[(2R)-2-amino-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]-4-(C-hydroxycarbonimidoyl)butanamido]-3-phenylpropanoic acid
(2S)-2-{[(2R)-2-{[(2S)-2-{[(2R)-2-amino-5-carbamimidamido-1-hydroxypentylidene]amino}-5-carbamimidamido-1-hydroxypentylidene]amino}-1-hydroxy-4-(C-hydroxycarbonimidoyl)butylidene]amino}-3-phenylpropanoate
Arg-arg-GLN-phe

vmhM:CE4754
vmhmetabolite:CE4754
YTMBNLHIDIKJIU-HCXYKTFWSA-P 		dynorphin B (6-9)

hmdb:HMDB12937
biggM:M_CE4754
vmhM:M_CE4754 		secondary/obsolete/fantasy identifier