ethyl (2S)-7-azanyl-7-azanylidene-2-(phenylmethoxycarbonylamino)heptanoate

Systemtic Name: ethyl (2S)-7-azanyl-7-azanylidene-2-(phenylmethoxycarbonylamino)heptanoate Openeye Name: ethyl (2S)-7-amino-2-(benzyloxycarbonylamino)-7-imino-heptanoate CAS Name: (2S)-7-amino-7-imino-2-(phenylmethoxycarbonylamino)heptanoic acid ethyl ester IUPAC Name: ethyl (2S)-7-amino-7-imino-2-(phenylmethoxycarbonylamino)heptanoate Traditional Name: (2S)-7-amino-2-(benzyloxycarbonylamino)-7-imino-enanthic acid ethyl ester Formula: C17H25N3O4 MolecularWeight: 335.3981

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCCC(=N)N)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CCOC(=O)[C@H](CCCCC(=N)N)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C17H25N3O4/c1-2-23-16(21)14(10-6-7-11-15(18)19)20-17(22)24-12-13-8-4-3-5-9-13/h3-5,8-9,14H,2,6-7,10-12H2,1H3,(H3,18,19)(H,20,22)/t14-/m0/s1