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

Systemtic Name: methyl (E,4S)-4-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]-6-sulfinamoyl-hex-2-enoate Openeye Name: methyl (E,4S)-4-[[(2S)-2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-6-sulfinamoyl-hex-2-enoate CAS Name: (E,4S)-4-[[(2S)-1-oxo-3-phenyl-2-(phenylmethoxycarbonylamino)propyl]amino]-6-sulfinamoyl-2-hexenoic acid methyl ester IUPAC Name: methyl (E,4S)-4-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]-6-sulfinamoylhex-2-enoate Traditional Name: (E,4S)-4-[[(2S)-2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-6-sulfinamoyl-hex-2-enoic acid methyl ester Formula: C24H29N3O6S MolecularWeight: 487.56856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29N3O6S/c1-32-22(28)13-12-20(14-15-34(25)31)26-23(29)21(16-18-8-4-2-5-9-18)27-24(30)33-17-19-10-6-3-7-11-19/h2-13,20-21H,14-17,25H2,1H3,(H,26,29)(H,27,30)/b13-12+/t20-,21+,34?/m1/s1