Terminology Service for NFDI4Health
JSON

N-[[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-pent-1-ynyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-3-(1-piperidinyl)propanamide

Go to external page http://purl.obolibrary.org/obo/CHEBI_96066

Term info

Label

N-[[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-pent-1-ynyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-3-(1-piperidinyl)propanamide

database cross reference
Subsets

2_STAR

charge

0

formula

C28H42N4O4

has obo namespace

chebi_ontology

id

CHEBI:96066

inchi

InChI=1S/C28H42N4O4/c1-5-6-8-11-23-16-24-27(29-17-23)36-25(21(2)18-32(28(24)35)22(3)20-33)19-30(4)26(34)12-15-31-13-9-7-10-14-31/h16-17,21-22,25,33H,5-7,9-10,12-15,18-20H2,1-4H3/t21-,22+,25+/m0/s1

inchikey

VKSOWNIUNHUMMN-SGIRGMQISA-N

mass

498.659

monoisotopicmass

498.32061

smiles

CCCC#CC1=CC2=C(N=C1)O[C@@H]([C@H](CN(C2=O)[C@H](C)CO)C)CN(C)C(=O)CCN3CCCCC3