CHEBI:41470 - chymostatin

ChEBI IDCHEBI:41470
ChEBI Namechymostatin
Stars
Secondary ChEBI IDCHEBI:3691
Last Modified16 August 2018
DownloadsMolfile
FormulaC31H41N7O6
Net Charge0
Average Mass607.712
Monoisotopic Mass607.31183
SMILES[H]C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)N[C@@H](Cc1ccccc1)C(=O)O)C1CCNC(=N)N1
InChIInChI=1S/C31H41N7O6/c1-19(2)15-24(27(40)34-22(18-39)16-20-9-5-3-6-10-20)35-28(41)26(23-13-14-33-30(32)36-23)38-31(44)37-25(29(42)43)17-21-11-7-4-8-12-21/h3-12,18-19,22-26H,13-17H2,1-2H3,(H,34,40)(H,35,41)(H,42,43)(H3,32,33,36)(H2,37,38,44)/t22-,23?,24-,25-,26-/m0/s1
InChIKeyMRXDGVXSWIXTQL-HYHFHBMOSA-N
ChEBI Ontology
Outgoing Relation(s)
chymostatin (CHEBI:41470) is a peptide (CHEBI:16670)
Synonyms  Source
ChymostatinKEGG COMPOUND
CHYMOSTATINPDBeChem
N-{[(1S)-1-[(4S)-2-amino-3,4,5,6-tetrahydropyrimidin-4-yl]-2-{[(1S)-1-{[(1S)-1-benzyl-2-oxoethyl]carbamoyl}-3-methylbutyl]amino}-2-oxoethyl]carbamoyl}-L-phenylalaninePDBeChem
Manual XrefsDatabases
C11308KEGG COMPOUND
CHYPDBeChem
Registry NumbersSources
CAS:9076-44-2KEGG COMPOUND