(phenylmethyl) 2-[4-[[(2S)-2-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoylamino]-3-phenyl-propanoyl]amino]phenyl]ethanoate

Systemtic Name: (phenylmethyl) 2-[4-[[(2S)-2-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoylamino]-3-phenyl-propanoyl]amino]phenyl]ethanoate Openeye Name: benzyl 2-[4-[[(2S)-2-[6-(tert-butoxycarbonylamino)hexanoylamino]-3-phenyl-propanoyl]amino]phenyl]acetate CAS Name: 2-[4-[[(2S)-2-[[6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxohexyl]amino]-1-oxo-3-phenylpropyl]amino]phenyl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[4-[[(2S)-2-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoylamino]-3-phenylpropanoyl]amino]phenyl]acetate Traditional Name: 2-[4-[[(2S)-2-[6-(tert-butoxycarbonylamino)hexanoylamino]-3-phenyl-propanoyl]amino]phenyl]acetic acid benzyl ester Formula: C35H43N3O6 MolecularWeight: 601.73242

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCCCC(=O)NC(CC1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)CC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)NCCCCCC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)CC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C35H43N3O6/c1-35(2,3)44-34(42)36-22-12-6-11-17-31(39)38-30(23-26-13-7-4-8-14-26)33(41)37-29-20-18-27(19-21-29)24-32(40)43-25-28-15-9-5-10-16-28/h4-5,7-10,13-16,18-21,30H,6,11-12,17,22-25H2,1-3H3,(H,36,42)(H,37,41)(H,38,39)/t30-/m0/s1