ethyl (2S)-5-[[azanyl-(propanoylamino)methylidene]amino]-2-benzamido-pentanoate

Systemtic Name: ethyl (2S)-5-[[azanyl-(propanoylamino)methylidene]amino]-2-benzamido-pentanoate Openeye Name: ethyl (2S)-5-[[azanyl-(propanoylamino)methylene]amino]-2-benzamido-pentanoate CAS Name: (2S)-5-[[azanyl-(1-oxopropylamino)methylidene]amino]-2-benzamidopentanoic acid ethyl ester IUPAC Name: ethyl (2S)-5-[[azanyl-(propanoylamino)methylidene]amino]-2-benzamidopentanoate Traditional Name: (2S)-5-[[azanyl-(propionylamino)methylene]amino]-2-benzamido-valeric acid ethyl ester Formula: C18H26N4O4 MolecularWeight: 364.410258

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC(=NCCCC(C(=O)OCC)NC(=O)C1=CC=CC=C1)N

Isomeric SMILES

CCC(=O)[15NH]C(=NCCC[C@@H](C(=O)OCC)NC(=O)C1=CC=CC=C1)[15NH2]

InChI

InChI=1S/C18H26N4O4/c1-3-15(23)22-18(19)20-12-8-11-14(17(25)26-4-2)21-16(24)13-9-6-5-7-10-13/h5-7,9-10,14H,3-4,8,11-12H2,1-2H3,(H,21,24)(H3,19,20,22,23)/t14-/m0/s1/i19+1,22+1