(phenylmethyl) (3S)-4-[[(2S)-3-cycloheptyl-1-oxidanylidene-1-phenylmethoxy-propan-2-yl]amino]-3-[2-(ethylamino)ethanoylamino]-4-oxidanylidene-butanoate

Systemtic Name: (phenylmethyl) (3S)-4-[[(2S)-3-cycloheptyl-1-oxidanylidene-1-phenylmethoxy-propan-2-yl]amino]-3-[2-(ethylamino)ethanoylamino]-4-oxidanylidene-butanoate Openeye Name: benzyl (3S)-4-[[(1S)-2-benzyloxy-1-(cycloheptylmethyl)-2-oxo-ethyl]amino]-3-[[2-(ethylamino)acetyl]amino]-4-oxo-butanoate CAS Name: (3S)-4-[[(2S)-3-cycloheptyl-1-oxo-1-phenylmethoxypropan-2-yl]amino]-3-[[2-(ethylamino)-1-oxoethyl]amino]-4-oxobutanoic acid (phenylmethyl) ester IUPAC Name: benzyl (3S)-4-[[(2S)-3-cycloheptyl-1-oxo-1-phenylmethoxypropan-2-yl]amino]-3-[[2-(ethylamino)acetyl]amino]-4-oxobutanoate Traditional Name: (3S)-4-[[(1S)-2-benzoxy-1-(cycloheptylmethyl)-2-keto-ethyl]amino]-3-[[2-(ethylamino)acetyl]amino]-4-keto-butyric acid benzyl ester Formula: C32H43N3O6 MolecularWeight: 565.70032

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Descriptors Computed from Structure

Canonical SMILES:

CCNCC(=O)NC(CC(=O)OCC1=CC=CC=C1)C(=O)NC(CC2CCCCCC2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCNCC(=O)N[C@@H](CC(=O)OCC1=CC=CC=C1)C(=O)N[C@@H](CC2CCCCCC2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C32H43N3O6/c1-2-33-21-29(36)34-27(20-30(37)40-22-25-15-9-5-10-16-25)31(38)35-28(19-24-13-7-3-4-8-14-24)32(39)41-23-26-17-11-6-12-18-26/h5-6,9-12,15-18,24,27-28,33H,2-4,7-8,13-14,19-23H2,1H3,(H,34,36)(H,35,38)/t27-,28-/m0/s1