(phenylmethyl) 2-(2-azanylpropanoylamino)-5-[(3-butan-2-yl-4-oxidanylidene-oxetan-2-yl)carbonylamino]pentanoate

Systemtic Name: (phenylmethyl) 2-(2-azanylpropanoylamino)-5-[(3-butan-2-yl-4-oxidanylidene-oxetan-2-yl)carbonylamino]pentanoate Openeye Name: benzyl 2-(2-aminopropanoylamino)-5-[(4-oxo-3-sec-butyl-oxetane-2-carbonyl)amino]pentanoate CAS Name: 2-[(2-amino-1-oxopropyl)amino]-5-[[(3-butan-2-yl-4-oxo-2-oxetanyl)-oxomethyl]amino]pentanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(2-aminopropanoylamino)-5-[(3-butan-2-yl-4-oxooxetane-2-carbonyl)amino]pentanoate Traditional Name: 2-(alanylamino)-5-[(4-keto-3-sec-butyl-oxetane-2-carbonyl)amino]valeric acid benzyl ester Formula: C23H33N3O6 MolecularWeight: 447.52462

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1C(OC1=O)C(=O)NCCCC(C(=O)OCC2=CC=CC=C2)NC(=O)C(C)N

Isomeric SMILES

CCC(C)C1C(OC1=O)C(=O)NCCCC(C(=O)OCC2=CC=CC=C2)NC(=O)C(C)N

InChI

InChI=1S/C23H33N3O6/c1-4-14(2)18-19(32-23(18)30)21(28)25-12-8-11-17(26-20(27)15(3)24)22(29)31-13-16-9-6-5-7-10-16/h5-7,9-10,14-15,17-19H,4,8,11-13,24H2,1-3H3,(H,25,28)(H,26,27)