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Asp-Asp-Cys

PropertiesImage
MNX_IDMNXM1123007 Image of MNXM1123007
referencechebi:160405
formulaC11H17N3O8S
global charge0
mol weight351.337
InChIKeyAKPLMZMNJGNUKT-ZLUOBGJFSA-N
InChIInChI=1S/C11H17N3O8S/c12-4(1-7(15)16)9(19)13-5(2-8(17)18)10(20)14-6(3-23)11(21)22/h4-6,23H,1-3,12H2,(H,13,19)(H,14,20)(H,15,16)(H,17,18)(H,21,22)/t4-,5-,6-/m0/s1
SMILESN[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CS)C(=O)O
MNX internals
InChI (mnx)InChI=1/C11H17N3O8S/c12-4(1-7(15)16)9(19)13-5(2-8(17)18)10(20)14-6(3-23)11(21)22/h4-6,23H,1-3,12H2,(H,13,19)(H,14,20)(H,15,16)(H,17,18)(H,21,22)/t4-,5-,6-/m0/s1 Image of MNXM1123007
SMILES (mnx)[CH2:1]([C@@H:4]([C:9](=[N:13][C@@H:5]([CH2:2][C:8](=[O:17])[OH:18])[C:10](=[N:14][C@@H:6]([CH2:3][SH:23])[C:11](=[O:21])[OH:22])[OH:20])[OH:19])[NH2:12])[C:7](=[O:15])[OH: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:160405
chebi:160405
AKPLMZMNJGNUKT-ZLUOBGJFSA-N
Asp-Asp-Cys
(3S)-3-amino-4-[[(2S)-3-carboxy-1-[[(1R)-1-carboxy-2-sulanylethyl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid