[(8-oxidanylidene-8-phenylazanyl-octanoyl)amino] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoate

Systemtic Name: [(8-oxidanylidene-8-phenylazanyl-octanoyl)amino] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoate Openeye Name: [(8-anilino-8-oxo-octanoyl)amino] (2S)-2-(tert-butoxycarbonylamino)-3-phenyl-propanoate CAS Name: (2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-phenylpropanoic acid [(8-anilino-1,8-dioxooctyl)amino] ester IUPAC Name: [(8-anilino-8-oxooctanoyl)amino] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-3-phenyl-propionic acid [(8-anilino-8-keto-octanoyl)amino] ester Formula: C28H37N3O6 MolecularWeight: 511.60988

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)ONC(=O)CCCCCCC(=O)NC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)ONC(=O)CCCCCCC(=O)NC2=CC=CC=C2

InChI

InChI=1S/C28H37N3O6/c1-28(2,3)36-27(35)30-23(20-21-14-8-6-9-15-21)26(34)37-31-25(33)19-13-5-4-12-18-24(32)29-22-16-10-7-11-17-22/h6-11,14-17,23H,4-5,12-13,18-20H2,1-3H3,(H,29,32)(H,30,35)(H,31,33)/t23-/m0/s1