(phenylmethyl) (4R)-5-azanyl-5-oxidanylidene-4-[[(2S)-2-(7-oxidanylideneoctanoylamino)propanoyl]amino]pentanoate

Systemtic Name: (phenylmethyl) (4R)-5-azanyl-5-oxidanylidene-4-[[(2S)-2-(7-oxidanylideneoctanoylamino)propanoyl]amino]pentanoate Openeye Name: benzyl (4R)-5-amino-5-oxo-4-[[(2S)-2-(7-oxooctanoylamino)propanoyl]amino]pentanoate CAS Name: (4R)-5-amino-4-[[(2S)-2-(1,7-dioxooctylamino)-1-oxopropyl]amino]-5-oxopentanoic acid (phenylmethyl) ester IUPAC Name: benzyl (4R)-5-amino-5-oxo-4-[[(2S)-2-(7-oxooctanoylamino)propanoyl]amino]pentanoate Traditional Name: (4R)-5-amino-5-keto-4-[[(2S)-2-(7-ketooctanoylamino)propanoyl]amino]valeric acid benzyl ester Formula: C23H33N3O6 MolecularWeight: 447.52462

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CCC(=O)OCC1=CC=CC=C1)C(=O)N)NC(=O)CCCCCC(=O)C

Isomeric SMILES

C[C@@H](C(=O)N[C@H](CCC(=O)OCC1=CC=CC=C1)C(=O)N)NC(=O)CCCCCC(=O)C

InChI

InChI=1S/C23H33N3O6/c1-16(27)9-5-3-8-12-20(28)25-17(2)23(31)26-19(22(24)30)13-14-21(29)32-15-18-10-6-4-7-11-18/h4,6-7,10-11,17,19H,3,5,8-9,12-15H2,1-2H3,(H2,24,30)(H,25,28)(H,26,31)/t17-,19+/m0/s1