methyl (E)-6-methyl-4-[[(2S,3R)-1-(methylamino)-1-oxidanylidene-3-phenylmethoxy-butan-2-yl]carbamoyl]hept-2-enoate

Systemtic Name: methyl (E)-6-methyl-4-[[(2S,3R)-1-(methylamino)-1-oxidanylidene-3-phenylmethoxy-butan-2-yl]carbamoyl]hept-2-enoate Openeye Name: methyl (E)-4-[[(1S,2R)-2-benzyloxy-1-(methylcarbamoyl)propyl]carbamoyl]-6-methyl-hept-2-enoate CAS Name: (E)-6-methyl-4-[[[(2S,3R)-1-(methylamino)-1-oxo-3-phenylmethoxybutan-2-yl]amino]-oxomethyl]-2-heptenoic acid methyl ester IUPAC Name: methyl (E)-6-methyl-4-[[(2S,3R)-1-(methylamino)-1-oxo-3-phenylmethoxybutan-2-yl]carbamoyl]hept-2-enoate Traditional Name: (E)-4-[[(1S,2R)-2-benzoxy-1-(methylcarbamoyl)propyl]carbamoyl]-6-methyl-hept-2-enoic acid methyl ester Formula: C22H32N2O5 MolecularWeight: 404.49988

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C=CC(=O)OC)C(=O)NC(C(C)OCC1=CC=CC=C1)C(=O)NC

Isomeric SMILES

C[C@H]([C@@H](C(=O)NC)NC(=O)C(CC(C)C)/C=C/C(=O)OC)OCC1=CC=CC=C1

InChI

InChI=1S/C22H32N2O5/c1-15(2)13-18(11-12-19(25)28-5)21(26)24-20(22(27)23-4)16(3)29-14-17-9-7-6-8-10-17/h6-12,15-16,18,20H,13-14H2,1-5H3,(H,23,27)(H,24,26)/b12-11+/t16-,18?,20+/m1/s1