(phenylmethyl) (2S)-3-methyl-2-[[(2S)-3-methyl-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoyl]amino]butanoyl]amino]butanoate

Systemtic Name: (phenylmethyl) (2S)-3-methyl-2-[[(2S)-3-methyl-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoyl]amino]butanoyl]amino]butanoate Openeye Name: benzyl (2S)-2-[[(2S)-2-[[(2S)-2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-butanoate CAS Name: (2S)-3-methyl-2-[[(2S)-3-methyl-2-[[(2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-3-phenylpropyl]amino]-1-oxobutyl]amino]butanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-3-methyl-2-[[(2S)-3-methyl-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]butanoyl]amino]butanoate Traditional Name: (2S)-2-[[(2S)-2-[[(2S)-2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-butyric acid benzyl ester Formula: C31H43N3O6 MolecularWeight: 553.68962

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(C(C)C)C(=O)OCC1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)OCC1=CC=CC=C1)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)OC(C)(C)C

InChI

InChI=1S/C31H43N3O6/c1-20(2)25(28(36)34-26(21(3)4)29(37)39-19-23-16-12-9-13-17-23)33-27(35)24(18-22-14-10-8-11-15-22)32-30(38)40-31(5,6)7/h8-17,20-21,24-26H,18-19H2,1-7H3,(H,32,38)(H,33,35)(H,34,36)/t24-,25-,26-/m0/s1