Terminology Service for NFDI4Health
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N-[(2S,3R)-2-[[[(4-fluoroanilino)-oxomethyl]-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(4-morpholinyl)propanamide

Go to external page http://purl.obolibrary.org/obo/CHEBI_123626

Term info

Label

N-[(2S,3R)-2-[[[(4-fluoroanilino)-oxomethyl]-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(4-morpholinyl)propanamide

database cross reference
Subsets

2_STAR

charge

0

formula

C31H42FN5O6

has obo namespace

chebi_ontology

id

CHEBI:123626

inchi

InChI=1S/C31H42FN5O6/c1-21-18-37(22(2)20-38)30(40)17-23-16-26(33-29(39)10-11-36-12-14-42-15-13-36)8-9-27(23)43-28(21)19-35(3)31(41)34-25-6-4-24(32)5-7-25/h4-9,16,21-22,28,38H,10-15,17-20H2,1-3H3,(H,33,39)(H,34,41)/t21-,22-,28-/m1/s1

inchikey

LXCWKQPRIQQYET-DQCZWYHMSA-N

mass

599.695

monoisotopicmass

599.31191

smiles

C[C@@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)CCN3CCOCC3)O[C@@H]1CN(C)C(=O)NC4=CC=C(C=C4)F)[C@H](C)CO