O1-tert-butyl O3-(phenylmethyl) (2S)-2-[[(2S)-2-azanyl-3-methyl-butanoyl]-cyclopentyl-amino]propanedioate

Systemtic Name: O1-tert-butyl O3-(phenylmethyl) (2S)-2-[[(2S)-2-azanyl-3-methyl-butanoyl]-cyclopentyl-amino]propanedioate Openeye Name: O1-benzyl O3-tert-butyl (2S)-2-[[(2S)-2-amino-3-methyl-butanoyl]-cyclopentyl-amino]propanedioate CAS Name: (2S)-2-[[(2S)-2-amino-3-methyl-1-oxobutyl]-cyclopentylamino]propanedioic acid O1-tert-butyl ester O3-(phenylmethyl) ester IUPAC Name: 3-O-benzyl 1-O-tert-butyl (2S)-2-[[(2S)-2-amino-3-methylbutanoyl]-cyclopentylamino]propanedioate Traditional Name: (2S)-2-[[(2S)-2-amino-3-methyl-butanoyl]-cyclopentyl-amino]malonic acid O1-benzyl ester O3-tert-butyl ester Formula: C24H36N2O5 MolecularWeight: 432.55304

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N(C1CCCC1)C(C(=O)OCC2=CC=CC=C2)C(=O)OC(C)(C)C)N

Isomeric SMILES

CC(C)[C@@H](C(=O)N(C1CCCC1)[C@@H](C(=O)OCC2=CC=CC=C2)C(=O)OC(C)(C)C)N

InChI

InChI=1S/C24H36N2O5/c1-16(2)19(25)21(27)26(18-13-9-10-14-18)20(23(29)31-24(3,4)5)22(28)30-15-17-11-7-6-8-12-17/h6-8,11-12,16,18-20H,9-10,13-15,25H2,1-5H3/t19-,20-/m0/s1