tert-butyl (2S)-2-[[(3S)-3-phenyl-3-[[(1R)-1-phenylethyl]-prop-2-enyl-amino]propanoyl]amino]propanoate

Systemtic Name: tert-butyl (2S)-2-[[(3S)-3-phenyl-3-[[(1R)-1-phenylethyl]-prop-2-enyl-amino]propanoyl]amino]propanoate Openeye Name: tert-butyl (2S)-2-[[(3S)-3-[allyl-[(1R)-1-phenylethyl]amino]-3-phenyl-propanoyl]amino]propanoate CAS Name: (2S)-2-[[(3S)-1-oxo-3-phenyl-3-[[(1R)-1-phenylethyl]-prop-2-enylamino]propyl]amino]propanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[[(3S)-3-phenyl-3-[[(1R)-1-phenylethyl]-prop-2-enylamino]propanoyl]amino]propanoate Traditional Name: (2S)-2-[[(3S)-3-[allyl-[(1R)-1-phenylethyl]amino]-3-phenyl-propanoyl]amino]propionic acid tert-butyl ester Formula: C27H36N2O3 MolecularWeight: 436.58634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N(CC=C)C(CC(=O)NC(C)C(=O)OC(C)(C)C)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C27H36N2O3/c1-7-18-29(21(3)22-14-10-8-11-15-22)24(23-16-12-9-13-17-23)19-25(30)28-20(2)26(31)32-27(4,5)6/h7-17,20-21,24H,1,18-19H2,2-6H3,(H,28,30)/t20-,21+,24-/m0/s1