(phenylmethyl) 4-[[[(2S)-2-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]carbonylamino]-3-phenyl-propanoyl]amino]methyl]benzoate

Systemtic Name: (phenylmethyl) 4-[[[(2S)-2-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]carbonylamino]-3-phenyl-propanoyl]amino]methyl]benzoate Openeye Name: benzyl 4-[[[(2S)-2-[[4-[(tert-butoxycarbonylamino)methyl]cyclohexanecarbonyl]amino]-3-phenyl-propanoyl]amino]methyl]benzoate CAS Name: 4-[[[(2S)-2-[[[4-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]cyclohexyl]-oxomethyl]amino]-1-oxo-3-phenylpropyl]amino]methyl]benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[[[(2S)-2-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexanecarbonyl]amino]-3-phenylpropanoyl]amino]methyl]benzoate Traditional Name: 4-[[[(2S)-2-[[4-[(tert-butoxycarbonylamino)methyl]cyclohexanecarbonyl]amino]-3-phenyl-propanoyl]amino]methyl]benzoic acid benzyl ester Formula: C37H45N3O6 MolecularWeight: 627.7697

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1CCC(CC1)C(=O)NC(CC2=CC=CC=C2)C(=O)NCC3=CC=C(C=C3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)NCC1CCC(CC1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)NCC3=CC=C(C=C3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C37H45N3O6/c1-37(2,3)46-36(44)39-24-28-14-18-30(19-15-28)33(41)40-32(22-26-10-6-4-7-11-26)34(42)38-23-27-16-20-31(21-17-27)35(43)45-25-29-12-8-5-9-13-29/h4-13,16-17,20-21,28,30,32H,14-15,18-19,22-25H2,1-3H3,(H,38,42)(H,39,44)(H,40,41)/t28?,30?,32-/m0/s1