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

Systemtic Name: tert-butyl (2S)-2-[[(2S)-2-(butylcarbamoylamino)-4-methyl-pentanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoate Openeye Name: tert-butyl (2S)-3-(4-benzyloxyphenyl)-2-[[(2S)-2-(butylcarbamoylamino)-4-methyl-pentanoyl]amino]propanoate CAS Name: (2S)-2-[[(2S)-2-[[butylamino(oxo)methyl]amino]-4-methyl-1-oxopentyl]amino]-3-(4-phenylmethoxyphenyl)propanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[[(2S)-2-(butylcarbamoylamino)-4-methylpentanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoate Traditional Name: (2S)-3-(4-benzoxyphenyl)-2-[[(2S)-2-(butylcarbamoylamino)-4-methyl-pentanoyl]amino]propionic acid tert-butyl ester Formula: C31H45N3O5 MolecularWeight: 539.7061

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC(CC(C)C)C(=O)NC(CC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)OC(C)(C)C

Isomeric SMILES

CCCCNC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)OC(C)(C)C

InChI

InChI=1S/C31H45N3O5/c1-7-8-18-32-30(37)34-26(19-22(2)3)28(35)33-27(29(36)39-31(4,5)6)20-23-14-16-25(17-15-23)38-21-24-12-10-9-11-13-24/h9-17,22,26-27H,7-8,18-21H2,1-6H3,(H,33,35)(H2,32,34,37)/t26-,27-/m0/s1