phenacyl (2S)-2-[[(2S)-2,5-bis(azanyl)-5-oxidanylidene-pentanoyl]amino]-3-methyl-butanoate

Systemtic Name: phenacyl (2S)-2-[[(2S)-2,5-bis(azanyl)-5-oxidanylidene-pentanoyl]amino]-3-methyl-butanoate Openeye Name: phenacyl (2S)-2-[[(2S)-2,5-diamino-5-oxo-pentanoyl]amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(2S)-2,5-diamino-1,5-dioxopentyl]amino]-3-methylbutanoic acid phenacyl ester IUPAC Name: phenacyl (2S)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[[(2S)-2,5-diamino-5-keto-pentanoyl]amino]-3-methyl-butyric acid phenacyl ester Formula: C18H25N3O5 MolecularWeight: 363.4082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O5/c1-11(2)16(21-17(24)13(19)8-9-15(20)23)18(25)26-10-14(22)12-6-4-3-5-7-12/h3-7,11,13,16H,8-10,19H2,1-2H3,(H2,20,23)(H,21,24)/t13-,16-/m0/s1