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2-[[2-[[2-amino-4-(methylthio)-1-oxobutyl]amino]-4-methyl-1-oxopentyl]amino]-3-phenylpropanoic acid

PropertiesImage
MNX_IDMNXM168319 Image of MNXM168319
referencechebi:91481
formulaC20H31N3O4S
global charge0
mol weight409.552
InChIKeyCHDYFPCQVUOJEB-UHFFFAOYSA-N
InChIInChI=1S/C20H31N3O4S/c1-13(2)11-16(22-18(24)15(21)9-10-28-3)19(25)23-17(20(26)27)12-14-7-5-4-6-8-14/h4-8,13,15-17H,9-12,21H2,1-3H3,(H,22,24)(H,23,25)(H,26,27)
SMILESCSCCC(N)C(=O)NC(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)O
MNX internals
InChI (mnx)InChI=1/C20H31N3O4S/c1-13(2)11-16(22-18(24)15(21)9-10-28-3)19(25)23-17(20(26)27)12-14-7-5-4-6-8-14/h4-8,13,15-17H,9-12,21H2,1-3H3,(H,22,24)(H,23,25)(H,26,27)/t15?,16?,17? Image of MNXM168319
SMILES (mnx)[CH3:1][CH:13]([CH3:2])[CH2:11][CH:16]([C:19](=[N:23][CH:17]([CH2:12][C:14]1=[CH:7][CH:5]=[CH:4][CH:6]=[CH:8]1)[C:20](=[O:26])[OH:27])[OH:25])[N:22]=[C:18]([CH:15]([CH2:9][CH2:10][S:28][CH3:3])[NH2:21])[OH:24]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:91481
chebi:91481
CHDYFPCQVUOJEB-UHFFFAOYSA-N 		2-[[2-[[2-amino-4-(methylthio)-1-oxobutyl]amino]-4-methyl-1-oxopentyl]amino]-3-phenylpropanoic acid

sabiork.compound:28767
sabiorkM:28767
CHDYFPCQVUOJEB-UHFFFAOYSA-N 		Met-Leu-Phe
hmdb:HMDB0254492
CHDYFPCQVUOJEB-UHFFFAOYSA-N 		Met-leu-phe
2-{2-[2-amino-4-(methylsulfanyl)butanamido]-4-methylpentanamido}-3-phenylpropanoic acid
met-leu-phe