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Ile-Cys-Leu

PropertiesImage
MNX_IDMNXM1120922 Image of MNXM1120922
referencechebi:158308
formulaC15H29N3O4S
global charge0
mol weight347.481
InChIKeyPPSQSIDMOVPKPI-BJDJZHNGSA-N
InChIInChI=1S/C15H29N3O4S/c1-5-9(4)12(16)14(20)18-11(7-23)13(19)17-10(15(21)22)6-8(2)3/h8-12,23H,5-7,16H2,1-4H3,(H,17,19)(H,18,20)(H,21,22)/t9-,10-,11-,12-/m0/s1
SMILESCC[C@H](C)[C@H](N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(C)C)C(=O)O
MNX internals
InChI (mnx)InChI=1/C15H29N3O4S/c1-5-9(4)12(16)14(20)18-11(7-23)13(19)17-10(15(21)22)6-8(2)3/h8-12,23H,5-7,16H2,1-4H3,(H,17,19)(H,18,20)(H,21,22)/t9-,10-,11-,12-/m0/s1 Image of MNXM1120922
SMILES (mnx)[CH3:1][CH2:5][C@H:9]([CH3:4])[C@@H:12]([C:14](=[N:18][C@@H:11]([CH2:7][SH:23])[C:13](=[N:17][C@@H:10]([CH2:6][CH:8]([CH3:2])[CH3:3])[C:15](=[O:21])[OH:22])[OH:19])[OH:20])[NH2:16]
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:158308
chebi:158308
PPSQSIDMOVPKPI-BJDJZHNGSA-N
Ile-Cys-Leu
(2S)-2-[[(2R)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-sulanylpropanoyl]amino]-4-methylpentanoic acid