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

Systemtic Name: (phenylmethyl) (4R)-5-azanyl-5-oxidanylidene-4-[[(2S)-2-(7-oxidanylidenetridecanoylamino)propanoyl]amino]pentanoate Openeye Name: benzyl (4R)-5-amino-5-oxo-4-[[(2S)-2-(7-oxotridecanoylamino)propanoyl]amino]pentanoate CAS Name: (4R)-5-amino-4-[[(2S)-2-(1,7-dioxotridecylamino)-1-oxopropyl]amino]-5-oxopentanoic acid (phenylmethyl) ester IUPAC Name: benzyl (4R)-5-amino-5-oxo-4-[[(2S)-2-(7-oxotridecanoylamino)propanoyl]amino]pentanoate Traditional Name: (4R)-5-amino-5-keto-4-[[(2S)-2-(7-ketotridecanoylamino)propanoyl]amino]valeric acid benzyl ester Formula: C28H43N3O6 MolecularWeight: 517.65752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H43N3O6/c1-3-4-5-10-15-23(32)16-11-7-12-17-25(33)30-21(2)28(36)31-24(27(29)35)18-19-26(34)37-20-22-13-8-6-9-14-22/h6,8-9,13-14,21,24H,3-5,7,10-12,15-20H2,1-2H3,(H2,29,35)(H,30,33)(H,31,36)/t21-,24+/m0/s1