tert-butyl (2S)-2-[[(4R,5S)-6-methyl-5-(phenylmethoxycarbonylamino)hept-1-en-4-yl]amino]-3-phenyl-propanoate

Systemtic Name: tert-butyl (2S)-2-[[(4R,5S)-6-methyl-5-(phenylmethoxycarbonylamino)hept-1-en-4-yl]amino]-3-phenyl-propanoate Openeye Name: tert-butyl (2S)-2-[[(1R)-1-[(1S)-1-(benzyloxycarbonylamino)-2-methyl-propyl]but-3-enyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[(4R,5S)-6-methyl-5-(phenylmethoxycarbonylamino)hept-1-en-4-yl]amino]-3-phenylpropanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[[(4R,5S)-6-methyl-5-(phenylmethoxycarbonylamino)hept-1-en-4-yl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[(1R)-1-[(1S)-1-(benzyloxycarbonylamino)-2-methyl-propyl]but-3-enyl]amino]-3-phenyl-propionic acid tert-butyl ester Formula: C29H40N2O4 MolecularWeight: 480.6389

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H40N2O4/c1-7-14-24(26(21(2)3)31-28(33)34-20-23-17-12-9-13-18-23)30-25(27(32)35-29(4,5)6)19-22-15-10-8-11-16-22/h7-13,15-18,21,24-26,30H,1,14,19-20H2,2-6H3,(H,31,33)/t24-,25+,26+/m1/s1