(2S)-2-[[(2S)-4-cyclohexyloxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-butanoyl]amino]-3-phenylmethoxy-propanoic acid

Systemtic Name: (2S)-2-[[(2S)-4-cyclohexyloxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-butanoyl]amino]-3-phenylmethoxy-propanoic acid Openeye Name: (2S)-3-benzyloxy-2-[[(2S)-2-(tert-butoxycarbonylamino)-4-(cyclohexoxy)-4-oxo-butanoyl]amino]propanoic acid CAS Name: (2S)-2-[[(2S)-4-cyclohexyloxy-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1,4-dioxobutyl]amino]-3-phenylmethoxypropanoic acid IUPAC Name: (2S)-2-[[(2S)-4-cyclohexyloxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoyl]amino]-3-phenylmethoxypropanoic acid Traditional Name: (2S)-3-benzoxy-2-[[(2S)-2-(tert-butoxycarbonylamino)-4-(cyclohexoxy)-4-keto-butanoyl]amino]propionic acid Formula: C25H36N2O8 MolecularWeight: 492.56194

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC(=O)OC1CCCCC1)C(=O)NC(COCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC(=O)OC1CCCCC1)C(=O)N[C@@H](COCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C25H36N2O8/c1-25(2,3)35-24(32)27-19(14-21(28)34-18-12-8-5-9-13-18)22(29)26-20(23(30)31)16-33-15-17-10-6-4-7-11-17/h4,6-7,10-11,18-20H,5,8-9,12-16H2,1-3H3,(H,26,29)(H,27,32)(H,30,31)/t19-,20-/m0/s1