(2S)-5-[4-(3-bromanyl-4-methoxy-phenyl)sulfonylpiperazin-1-yl]-5-oxidanylidene-2-(phenylmethoxycarbonylamino)pentanoic acid

Systemtic Name: (2S)-5-[4-(3-bromanyl-4-methoxy-phenyl)sulfonylpiperazin-1-yl]-5-oxidanylidene-2-(phenylmethoxycarbonylamino)pentanoic acid Openeye Name: (2S)-2-(benzyloxycarbonylamino)-5-[4-(3-bromo-4-methoxy-phenyl)sulfonylpiperazin-1-yl]-5-oxo-pentanoic acid CAS Name: (2S)-5-[4-(3-bromo-4-methoxyphenyl)sulfonyl-1-piperazinyl]-5-oxo-2-(phenylmethoxycarbonylamino)pentanoic acid IUPAC Name: (2S)-5-[4-(3-bromo-4-methoxyphenyl)sulfonylpiperazin-1-yl]-5-oxo-2-(phenylmethoxycarbonylamino)pentanoic acid Traditional Name: (2S)-2-(benzyloxycarbonylamino)-5-[4-(3-bromo-4-methoxy-phenyl)sulfonylpiperazino]-5-keto-valeric acid Formula: C24H28BrN3O8S MolecularWeight: 598.46342

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC(C(=O)O)NC(=O)OCC3=CC=CC=C3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CC[C@@H](C(=O)O)NC(=O)OCC3=CC=CC=C3)Br

InChI

InChI=1S/C24H28BrN3O8S/c1-35-21-9-7-18(15-19(21)25)37(33,34)28-13-11-27(12-14-28)22(29)10-8-20(23(30)31)26-24(32)36-16-17-5-3-2-4-6-17/h2-7,9,15,20H,8,10-14,16H2,1H3,(H,26,32)(H,30,31)/t20-/m0/s1