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

Systemtic Name: (phenylmethyl) (4R)-5-azanyl-5-oxidanylidene-4-[[(2S)-2-(7-oxidanylidenenonanoylamino)propanoyl]amino]pentanoate Openeye Name: benzyl (4R)-5-amino-5-oxo-4-[[(2S)-2-(7-oxononanoylamino)propanoyl]amino]pentanoate CAS Name: (4R)-5-amino-4-[[(2S)-2-(1,7-dioxononylamino)-1-oxopropyl]amino]-5-oxopentanoic acid (phenylmethyl) ester IUPAC Name: benzyl (4R)-5-amino-5-oxo-4-[[(2S)-2-(7-oxononanoylamino)propanoyl]amino]pentanoate Traditional Name: (4R)-5-amino-5-keto-4-[[(2S)-2-(7-ketononanoylamino)propanoyl]amino]valeric acid benzyl ester Formula: C24H35N3O6 MolecularWeight: 461.5512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H35N3O6/c1-3-19(28)12-8-5-9-13-21(29)26-17(2)24(32)27-20(23(25)31)14-15-22(30)33-16-18-10-6-4-7-11-18/h4,6-7,10-11,17,20H,3,5,8-9,12-16H2,1-2H3,(H2,25,31)(H,26,29)(H,27,32)/t17-,20+/m0/s1