[2-[(3-azanyl-3-oxidanylidene-propyl)-phenyl-amino]-2-oxidanylidene-ethyl] (2S)-2-(furan-2-ylcarbonylamino)-3-phenyl-propanoate

Systemtic Name: [2-[(3-azanyl-3-oxidanylidene-propyl)-phenyl-amino]-2-oxidanylidene-ethyl] (2S)-2-(furan-2-ylcarbonylamino)-3-phenyl-propanoate Openeye Name: [2-(N-(3-amino-3-oxo-propyl)anilino)-2-oxo-ethyl] (2S)-2-(furan-2-carbonylamino)-3-phenyl-propanoate CAS Name: (2S)-2-[[2-furanyl(oxo)methyl]amino]-3-phenylpropanoic acid [2-(N-(3-amino-3-oxopropyl)anilino)-2-oxoethyl] ester IUPAC Name: [2-(N-(3-amino-3-oxopropyl)anilino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate Traditional Name: (2S)-2-(2-furoylamino)-3-phenyl-propionic acid [2-(N-(3-amino-3-keto-propyl)anilino)-2-keto-ethyl] ester Formula: C25H25N3O6 MolecularWeight: 463.4825

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)OCC(=O)N(CCC(=O)N)C2=CC=CC=C2)NC(=O)C3=CC=CO3

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)OCC(=O)N(CCC(=O)N)C2=CC=CC=C2)NC(=O)C3=CC=CO3

InChI

InChI=1S/C25H25N3O6/c26-22(29)13-14-28(19-10-5-2-6-11-19)23(30)17-34-25(32)20(16-18-8-3-1-4-9-18)27-24(31)21-12-7-15-33-21/h1-12,15,20H,13-14,16-17H2,(H2,26,29)(H,27,31)/t20-/m0/s1