methyl (E,4S)-6-methylsulfonyl-4-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]hex-2-enoate

Systemtic Name: methyl (E,4S)-6-methylsulfonyl-4-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]hex-2-enoate Openeye Name: methyl (E,4S)-4-[[(2S)-2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-6-methylsulfonyl-hex-2-enoate CAS Name: (E,4S)-6-methylsulfonyl-4-[[(2S)-1-oxo-3-phenyl-2-(phenylmethoxycarbonylamino)propyl]amino]-2-hexenoic acid methyl ester IUPAC Name: methyl (E,4S)-6-methylsulfonyl-4-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]hex-2-enoate Traditional Name: (E,4S)-4-[[(2S)-2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-6-mesyl-hex-2-enoic acid methyl ester Formula: C25H30N2O7S MolecularWeight: 502.5799

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CC(CCS(=O)(=O)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

COC(=O)/C=C/[C@H](CCS(=O)(=O)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C25H30N2O7S/c1-33-23(28)14-13-21(15-16-35(2,31)32)26-24(29)22(17-19-9-5-3-6-10-19)27-25(30)34-18-20-11-7-4-8-12-20/h3-14,21-22H,15-18H2,1-2H3,(H,26,29)(H,27,30)/b14-13+/t21-,22+/m1/s1