Terminology Service for NFDI4Health
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N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(1-methyl-4-imidazolyl)sulfonyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide

Go to external page http://purl.obolibrary.org/obo/CHEBI_126732

Term info

Label

N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(1-methyl-4-imidazolyl)sulfonyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide

database cross reference
Subsets

2_STAR

charge

0

formula

C27H40N6O7S

has obo namespace

chebi_ontology

id

CHEBI:126732

inchi

InChI=1S/C27H40N6O7S/c1-19-14-33(20(2)17-34)27(36)22-13-21(29-25(35)7-8-32-9-11-39-12-10-32)5-6-23(22)40-24(19)15-31(4)41(37,38)26-16-30(3)18-28-26/h5-6,13,16,18-20,24,34H,7-12,14-15,17H2,1-4H3,(H,29,35)/t19-,20-,24-/m0/s1

inchikey

HSFMJJCZPAZGBY-SKPFHBQLSA-N

mass

592.710

monoisotopicmass

592.26792

smiles

C[C@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)CCN3CCOCC3)O[C@H]1CN(C)S(=O)(=O)C4=CN(C=N4)C)[C@@H](C)CO