(phenylmethyl) (4S)-4-azanyl-5-oxidanylidene-5-[(1-tridecanoylpiperidin-2-yl)methylamino]pentanoate

Systemtic Name: (phenylmethyl) (4S)-4-azanyl-5-oxidanylidene-5-[(1-tridecanoylpiperidin-2-yl)methylamino]pentanoate Openeye Name: benzyl (4S)-4-amino-5-oxo-5-[(1-tridecanoyl-2-piperidyl)methylamino]pentanoate CAS Name: (4S)-4-amino-5-oxo-5-[[1-(1-oxotridecyl)-2-piperidinyl]methylamino]pentanoic acid (phenylmethyl) ester IUPAC Name: benzyl (4S)-4-amino-5-oxo-5-[(1-tridecanoylpiperidin-2-yl)methylamino]pentanoate Traditional Name: (4S)-4-amino-5-keto-5-[(1-tridecanoyl-2-piperidyl)methylamino]valeric acid benzyl ester Formula: C31H51N3O4 MolecularWeight: 529.75434

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(=O)N1CCCCC1CNC(=O)C(CCC(=O)OCC2=CC=CC=C2)N

Isomeric SMILES

CCCCCCCCCCCCC(=O)N1CCCCC1CNC(=O)[C@H](CCC(=O)OCC2=CC=CC=C2)N

InChI

InChI=1S/C31H51N3O4/c1-2-3-4-5-6-7-8-9-10-14-20-29(35)34-23-16-15-19-27(34)24-33-31(37)28(32)21-22-30(36)38-25-26-17-12-11-13-18-26/h11-13,17-18,27-28H,2-10,14-16,19-25,32H2,1H3,(H,33,37)/t27?,28-/m0/s1