tert-butyl (3R)-3-[[(2S)-3,3-dimethyl-1-(methylamino)-1-oxidanylidene-butan-2-yl]carbamoyl]-7-phenylmethoxy-heptanoate

Systemtic Name: tert-butyl (3R)-3-[[(2S)-3,3-dimethyl-1-(methylamino)-1-oxidanylidene-butan-2-yl]carbamoyl]-7-phenylmethoxy-heptanoate Openeye Name: tert-butyl (3R)-7-benzyloxy-3-[[(1S)-2,2-dimethyl-1-(methylcarbamoyl)propyl]carbamoyl]heptanoate CAS Name: (3R)-3-[[[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]amino]-oxomethyl]-7-phenylmethoxyheptanoic acid tert-butyl ester IUPAC Name: tert-butyl (3R)-3-[[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]-7-phenylmethoxyheptanoate Traditional Name: (3R)-7-benzoxy-3-[[(1S)-2,2-dimethyl-1-(methylcarbamoyl)propyl]carbamoyl]enanthic acid tert-butyl ester Formula: C26H42N2O5 MolecularWeight: 462.62208

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)NC)NC(=O)C(CCCCOCC1=CC=CC=C1)CC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)[C@@H](C(=O)NC)NC(=O)[C@H](CCCCOCC1=CC=CC=C1)CC(=O)OC(C)(C)C

InChI

InChI=1S/C26H42N2O5/c1-25(2,3)22(24(31)27-7)28-23(30)20(17-21(29)33-26(4,5)6)15-11-12-16-32-18-19-13-9-8-10-14-19/h8-10,13-14,20,22H,11-12,15-18H2,1-7H3,(H,27,31)(H,28,30)/t20-,22-/m1/s1