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

Systemtic Name: (phenylmethyl) (4R)-5-azanyl-5-oxidanylidene-4-[[(2S)-2-(7-oxidanylideneundecanoylamino)propanoyl]amino]pentanoate Openeye Name: benzyl (4R)-5-amino-5-oxo-4-[[(2S)-2-(7-oxoundecanoylamino)propanoyl]amino]pentanoate CAS Name: (4R)-5-amino-4-[[(2S)-2-(1,7-dioxoundecylamino)-1-oxopropyl]amino]-5-oxopentanoic acid (phenylmethyl) ester IUPAC Name: benzyl (4R)-5-amino-5-oxo-4-[[(2S)-2-(7-oxoundecanoylamino)propanoyl]amino]pentanoate Traditional Name: (4R)-5-amino-5-keto-4-[[(2S)-2-(7-ketoundecanoylamino)propanoyl]amino]valeric acid benzyl ester Formula: C26H39N3O6 MolecularWeight: 489.60436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H39N3O6/c1-3-4-13-21(30)14-9-6-10-15-23(31)28-19(2)26(34)29-22(25(27)33)16-17-24(32)35-18-20-11-7-5-8-12-20/h5,7-8,11-12,19,22H,3-4,6,9-10,13-18H2,1-2H3,(H2,27,33)(H,28,31)(H,29,34)/t19-,22+/m0/s1