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Cys-Lys-Ile

PropertiesImage
MNX_IDMNXM1124117 Image of MNXM1124117
referencechebi:161519
formulaC15H30N4O4S
global charge0
mol weight362.496
InChIKeyYXPNKXFOBHRUBL-BJDJZHNGSA-N
InChIInChI=1S/C15H30N4O4S/c1-3-9(2)12(15(22)23)19-14(21)11(6-4-5-7-16)18-13(20)10(17)8-24/h9-12,24H,3-8,16-17H2,1-2H3,(H,18,20)(H,19,21)(H,22,23)/t9-,10-,11-,12-/m0/s1
SMILESCC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CS)C(=O)O
MNX internals
InChI (mnx)InChI=1/C15H30N4O4S/c1-3-9(2)12(15(22)23)19-14(21)11(6-4-5-7-16)18-13(20)10(17)8-24/h9-12,24H,3-8,16-17H2,1-2H3,(H,18,20)(H,19,21)(H,22,23)/t9-,10-,11-,12-/m0/s1 Image of MNXM1124117
SMILES (mnx)[CH3:1][CH2:3][C@H:9]([CH3:2])[C@@H:12]([C:15](=[O:22])[OH:23])[N:19]=[C:14]([C@H:11]([CH2:6][CH2:4][CH2:5][CH2:7][NH2:16])[N:18]=[C:13]([C@H:10]([CH2:8][SH:24])[NH2:17])[OH:20])[OH:21]
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:161519
chebi:161519
YXPNKXFOBHRUBL-BJDJZHNGSA-N
Cys-Lys-Ile
(2S,3S)-2-[[(2S)-6-amino-2-[[(2R)-2-amino-3-sulanylpropanoyl]amino]hexanoyl]amino]-3-methylpentanoic acid