methyl (2S)-3-methyl-2-[3-[5-(6-oxidanylhexyl)furan-2-yl]prop-2-enoxycarbonylamino]butanoate

Systemtic Name: methyl (2S)-3-methyl-2-[3-[5-(6-oxidanylhexyl)furan-2-yl]prop-2-enoxycarbonylamino]butanoate Openeye Name: methyl (2S)-2-[3-[5-(6-hydroxyhexyl)-2-furyl]allyloxycarbonylamino]-3-methyl-butanoate CAS Name: (2S)-2-[[3-[5-(6-hydroxyhexyl)-2-furanyl]prop-2-enoxy-oxomethyl]amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl (2S)-2-[3-[5-(6-hydroxyhexyl)furan-2-yl]prop-2-enoxycarbonylamino]-3-methylbutanoate Traditional Name: (2S)-2-[3-[5-(6-hydroxyhexyl)-2-furyl]allyloxycarbonylamino]-3-methyl-butyric acid methyl ester Formula: C20H31NO6 MolecularWeight: 381.46324

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)NC(=O)OCC=CC1=CC=C(O1)CCCCCCO

Isomeric SMILES

CC(C)[C@@H](C(=O)OC)NC(=O)OCC=CC1=CC=C(O1)CCCCCCO

InChI

InChI=1S/C20H31NO6/c1-15(2)18(19(23)25-3)21-20(24)26-14-8-10-17-12-11-16(27-17)9-6-4-5-7-13-22/h8,10-12,15,18,22H,4-7,9,13-14H2,1-3H3,(H,21,24)/t18-/m0/s1