tert-butyl (2S)-2-[[(2S)-4-methyl-2-[(4-phenoxyphenyl)carbamoylamino]pentanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoate

Systemtic Name: tert-butyl (2S)-2-[[(2S)-4-methyl-2-[(4-phenoxyphenyl)carbamoylamino]pentanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoate Openeye Name: tert-butyl (2S)-3-(4-benzyloxyphenyl)-2-[[(2S)-4-methyl-2-[(4-phenoxyphenyl)carbamoylamino]pentanoyl]amino]propanoate CAS Name: (2S)-2-[[(2S)-4-methyl-1-oxo-2-[[oxo-(4-phenoxyanilino)methyl]amino]pentyl]amino]-3-(4-phenylmethoxyphenyl)propanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[[(2S)-4-methyl-2-[(4-phenoxyphenyl)carbamoylamino]pentanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoate Traditional Name: (2S)-3-(4-benzoxyphenyl)-2-[[(2S)-4-methyl-2-[(4-phenoxyphenyl)carbamoylamino]pentanoyl]amino]propionic acid tert-butyl ester Formula: C39H45N3O6 MolecularWeight: 651.7911

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)OC(C)(C)C)NC(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)OC(C)(C)C)NC(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C39H45N3O6/c1-27(2)24-34(42-38(45)40-30-18-22-33(23-19-30)47-32-14-10-7-11-15-32)36(43)41-35(37(44)48-39(3,4)5)25-28-16-20-31(21-17-28)46-26-29-12-8-6-9-13-29/h6-23,27,34-35H,24-26H2,1-5H3,(H,41,43)(H2,40,42,45)/t34-,35-/m0/s1