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

Systemtic Name: (phenylmethyl) (4R)-5-azanyl-5-oxidanylidene-4-[[(2S)-2-(7-oxidanylidenedodecanoylamino)propanoyl]amino]pentanoate Openeye Name: benzyl (4R)-5-amino-5-oxo-4-[[(2S)-2-(7-oxododecanoylamino)propanoyl]amino]pentanoate CAS Name: (4R)-5-amino-4-[[(2S)-2-(1,7-dioxododecylamino)-1-oxopropyl]amino]-5-oxopentanoic acid (phenylmethyl) ester IUPAC Name: benzyl (4R)-5-amino-5-oxo-4-[[(2S)-2-(7-oxododecanoylamino)propanoyl]amino]pentanoate Traditional Name: (4R)-5-amino-5-keto-4-[[(2S)-2-(7-ketododecanoylamino)propanoyl]amino]valeric acid benzyl ester Formula: C27H41N3O6 MolecularWeight: 503.63094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H41N3O6/c1-3-4-7-14-22(31)15-10-6-11-16-24(32)29-20(2)27(35)30-23(26(28)34)17-18-25(33)36-19-21-12-8-5-9-13-21/h5,8-9,12-13,20,23H,3-4,6-7,10-11,14-19H2,1-2H3,(H2,28,34)(H,29,32)(H,30,35)/t20-,23+/m0/s1