(phenylmethyl) N-[(2S,3S,5S)-5-(butylcarbamoyl)-6-methyl-3-oxidanyl-1-phenyl-hept-6-en-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S,3S,5S)-5-(butylcarbamoyl)-6-methyl-3-oxidanyl-1-phenyl-hept-6-en-2-yl]carbamate Openeye Name: benzyl N-[(1S,2S,4S)-1-benzyl-4-(butylcarbamoyl)-2-hydroxy-5-methyl-hex-5-enyl]carbamate CAS Name: N-[(2S,3S,5S)-5-[butylamino(oxo)methyl]-3-hydroxy-6-methyl-1-phenylhept-6-en-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S,3S,5S)-5-(butylcarbamoyl)-3-hydroxy-6-methyl-1-phenylhept-6-en-2-yl]carbamate Traditional Name: N-[(1S,2S,4S)-1-benzyl-4-(butylcarbamoyl)-2-hydroxy-5-methyl-hex-5-enyl]carbamic acid benzyl ester Formula: C27H36N2O4 MolecularWeight: 452.58574

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(CC(C(CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2)O)C(=C)C

Isomeric SMILES

CCCCNC(=O)[C@@H](C[C@@H]([C@H](CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2)O)C(=C)C

InChI

InChI=1S/C27H36N2O4/c1-4-5-16-28-26(31)23(20(2)3)18-25(30)24(17-21-12-8-6-9-13-21)29-27(32)33-19-22-14-10-7-11-15-22/h6-15,23-25,30H,2,4-5,16-19H2,1,3H3,(H,28,31)(H,29,32)/t23-,24-,25-/m0/s1