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

Systemtic Name: ethyl (2S)-5-[[azanyl-(cyclopentylcarbonylamino)methylidene]amino]-2-benzamido-pentanoate Openeye Name: ethyl (2S)-5-[[amino-(cyclopentanecarbonylamino)methylene]amino]-2-benzamido-pentanoate CAS Name: (2S)-5-[[amino-[[cyclopentyl(oxo)methyl]amino]methylidene]amino]-2-benzamidopentanoic acid ethyl ester IUPAC Name: ethyl (2S)-5-[[amino-(cyclopentanecarbonylamino)methylidene]amino]-2-benzamidopentanoate Traditional Name: (2S)-5-[[amino-(cyclopentanecarbonylamino)methylene]amino]-2-benzamido-valeric acid ethyl ester Formula: C21H25N4O4 MolecularWeight: 397.4476

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCN=C(N)NC(=O)[C]1[CH][CH][CH][CH]1)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)[C@H](CCCN=C(N)NC(=O)[C]1[CH][CH][CH][CH]1)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H25N4O4/c1-2-29-20(28)17(24-18(26)15-9-4-3-5-10-15)13-8-14-23-21(22)25-19(27)16-11-6-7-12-16/h3-7,9-12,17H,2,8,13-14H2,1H3,(H,24,26)(H3,22,23,25,27)/t17-/m0/s1