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Calpeptin

PropertiesImage
MNX_IDMNXM45306 Image of MNXM45306
referencechebi:3330
formulaC20H30N2O4
global charge0
mol weight362.47
InChIKeyPGGUOGKHUUUWAF-ROUUACIJSA-N
InChIInChI=1S/C20H30N2O4/c1-4-5-11-17(13-23)21-19(24)18(12-15(2)3)22-20(25)26-14-16-9-7-6-8-10-16/h6-10,13,15,17-18H,4-5,11-12,14H2,1-3H3,(H,21,24)(H,22,25)/t17-,18-/m0/s1
SMILESCCCC[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1
MNX internals
InChI (mnx)InChI=1/C20H30N2O4/c1-4-5-11-17(13-23)21-19(24)18(12-15(2)3)22-20(25)26-14-16-9-7-6-8-10-16/h6-10,13,15,17-18H,4-5,11-12,14H2,1-3H3,(H,21,24)(H,22,25)/t17-,18-/m0/s1 Image of MNXM45306
SMILES (mnx)[CH3:1][CH2:4][CH2:5][CH2:11][C@@H:17]([CH:13]=[O:23])[N:21]=[C:19]([C@H:18]([CH2:12][CH:15]([CH3:2])[CH3:3])[N:22]=[C:20]([OH:25])[O:26][CH2:14][C:16]1=[CH:9][CH:7]=[CH:6][CH:8]=[CH:10]1)[OH:24]
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:3330
chebi:3330
kegg.compound:C11256
keggC:C11256
PGGUOGKHUUUWAF-ROUUACIJSA-N 		Calpeptin
N-Cbz-leu-nleu-al
hmdb:HMDB0249563
PGGUOGKHUUUWAF-UHFFFAOYSA-N 		Calpeptin
2-{[(benzyloxy)(hydroxy)methylidene]amino}-4-methyl-N-(1-oxohexan-2-yl)pentanimidate
benzyl N-{3-methyl-1-[(1-oxohexan-2-yl)carbamoyl]butyl}carbamate

seed.compound:cpd08119
seedM:cpd08119
PGGUOGKHUUUWAF-ROUUACIJSA-N 		Calpeptin
N-Cbz-leu-nleu-al
calpeptin

CHEBI:93910
chebi:93910
PGGUOGKHUUUWAF-UHFFFAOYSA-N 		N-[4-methyl-1-oxo-1-(1-oxohexan-2-ylamino)pentan-2-yl]carbamic acid (phenylmethyl) ester

metacyc.compound:CPD0-1359
metacycM:CPD0-1359
PGGUOGKHUUUWAF-ROUUACIJSA-N 		calpeptin

keggC:M_C11256
seedM:M_cpd08119 		secondary/obsolete/fantasy identifier