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

Systemtic Name: (phenylmethyl) 2-[4-[[(2S)-2-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]methylamino]-3-phenyl-propanoyl]amino]phenyl]ethanoate Openeye Name: benzyl 2-[4-[[(2S)-2-[[4-[(tert-butoxycarbonylamino)methyl]cyclohexyl]methylamino]-3-phenyl-propanoyl]amino]phenyl]acetate CAS Name: 2-[4-[[(2S)-2-[[4-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]cyclohexyl]methylamino]-1-oxo-3-phenylpropyl]amino]phenyl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[4-[[(2S)-2-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]methylamino]-3-phenylpropanoyl]amino]phenyl]acetate Traditional Name: 2-[4-[[(2S)-2-[[4-[(tert-butoxycarbonylamino)methyl]cyclohexyl]methylamino]-3-phenyl-propanoyl]amino]phenyl]acetic acid benzyl ester Formula: C37H47N3O5 MolecularWeight: 613.78618

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1CCC(CC1)CNC(CC2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)CC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)NCC1CCC(CC1)CN[C@@H](CC2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)CC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C37H47N3O5/c1-37(2,3)45-36(43)39-25-30-16-14-29(15-17-30)24-38-33(22-27-10-6-4-7-11-27)35(42)40-32-20-18-28(19-21-32)23-34(41)44-26-31-12-8-5-9-13-31/h4-13,18-21,29-30,33,38H,14-17,22-26H2,1-3H3,(H,39,43)(H,40,42)/t29?,30?,33-/m0/s1