(phenylmethyl) 2-[2-[(3-azanyl-2-oxidanyl-hexanoyl)amino]ethanoylamino]-2-phenyl-ethanoate

Systemtic Name: (phenylmethyl) 2-[2-[(3-azanyl-2-oxidanyl-hexanoyl)amino]ethanoylamino]-2-phenyl-ethanoate Openeye Name: benzyl 2-[[2-[(3-amino-2-hydroxy-hexanoyl)amino]acetyl]amino]-2-phenyl-acetate CAS Name: 2-[[2-[(3-amino-2-hydroxy-1-oxohexyl)amino]-1-oxoethyl]amino]-2-phenylacetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[2-[(3-amino-2-hydroxyhexanoyl)amino]acetyl]amino]-2-phenylacetate Traditional Name: 2-[[2-[(3-amino-2-hydroxy-hexanoyl)amino]acetyl]amino]-2-phenyl-acetic acid benzyl ester Formula: C23H29N3O5 MolecularWeight: 427.49346

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(C(=O)NCC(=O)NC(C1=CC=CC=C1)C(=O)OCC2=CC=CC=C2)O)N

Isomeric SMILES

CCCC(C(C(=O)NCC(=O)NC(C1=CC=CC=C1)C(=O)OCC2=CC=CC=C2)O)N

InChI

InChI=1S/C23H29N3O5/c1-2-9-18(24)21(28)22(29)25-14-19(27)26-20(17-12-7-4-8-13-17)23(30)31-15-16-10-5-3-6-11-16/h3-8,10-13,18,20-21,28H,2,9,14-15,24H2,1H3,(H,25,29)(H,26,27)