CHEBI:121881 - N-[(S)-[(1S,2R)-1-methyl-2-[(2R)-1-[(5-methyl-2-furanyl)methylamino]-1-oxopropan-2-yl]cyclopropyl]-phenylmethyl]carbamic acid (phenylmethyl) ester

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-[(S)-[(1S,2R)-1-methyl-2-[(2R)-1-[(5-methyl-2-furanyl)methylamino]-1-oxopropan-2-yl]cyclopropyl]-phenylmethyl]carbamic acid (phenylmethyl) ester
ChEBI ID CHEBI:121881
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C28H32N2O4
Net Charge 0
Average Mass 460.566
Monoisotopic Mass 460.23621
InChI InChI=1S/C28H32N2O4/c1-19-14-15-23(34-19)17-29-26(31)20(2)24-16-28(24,3)25(22-12-8-5-9-13-22)30-27(32)33-18-21-10-6-4-7-11-21/h4-15,20,24-25H,16-18H2,1-3H3,(H,29,31)(H,30,32)/t20-,24-,25-,28+/m1/s1
InChIKey SRNJFFZNRXKBLI-PFCXFHTISA-N
SMILES CC1=CC=C(O1)CNC(=O)[C@H](C)[C@H]2C[C@]2(C)[C@@H](C3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4
ChEBI Ontology
Outgoing N-[(S)-[(1S,2R)-1-methyl-2-[(2R)-1-[(5-methyl-2-furanyl)methylamino]-1-oxopropan-2-yl]cyclopropyl]-phenylmethyl]carbamic acid (phenylmethyl) ester (CHEBI:121881) has functional parent benzyl alcohol (CHEBI:17987)
N-[(S)-[(1S,2R)-1-methyl-2-[(2R)-1-[(5-methyl-2-furanyl)methylamino]-1-oxopropan-2-yl]cyclopropyl]-phenylmethyl]carbamic acid (phenylmethyl) ester (CHEBI:121881) is a carboxylic ester (CHEBI:33308)
Manual Xref Database
LSM-33324 LINCS
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