(2S)-5-(4-anthracen-9-ylsulfonylpiperazin-1-yl)-5-oxidanylidene-2-(phenylmethoxycarbonylamino)pentanoic acid

Systemtic Name: (2S)-5-(4-anthracen-9-ylsulfonylpiperazin-1-yl)-5-oxidanylidene-2-(phenylmethoxycarbonylamino)pentanoic acid Openeye Name: (2S)-5-[4-(9-anthrylsulfonyl)piperazin-1-yl]-2-(benzyloxycarbonylamino)-5-oxo-pentanoic acid CAS Name: (2S)-5-[4-(9-anthracenylsulfonyl)-1-piperazinyl]-5-oxo-2-(phenylmethoxycarbonylamino)pentanoic acid IUPAC Name: (2S)-5-(4-anthracen-9-ylsulfonylpiperazin-1-yl)-5-oxo-2-(phenylmethoxycarbonylamino)pentanoic acid Traditional Name: (2S)-5-[4-(9-anthrylsulfonyl)piperazino]-2-(benzyloxycarbonylamino)-5-keto-valeric acid Formula: C31H31N3O7S MolecularWeight: 589.65874

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCC(C(=O)O)NC(=O)OCC2=CC=CC=C2)S(=O)(=O)C3=C4C=CC=CC4=CC5=CC=CC=C53

Isomeric SMILES

C1CN(CCN1C(=O)CC[C@@H](C(=O)O)NC(=O)OCC2=CC=CC=C2)S(=O)(=O)C3=C4C=CC=CC4=CC5=CC=CC=C53

InChI

InChI=1S/C31H31N3O7S/c35-28(15-14-27(30(36)37)32-31(38)41-21-22-8-2-1-3-9-22)33-16-18-34(19-17-33)42(39,40)29-25-12-6-4-10-23(25)20-24-11-5-7-13-26(24)29/h1-13,20,27H,14-19,21H2,(H,32,38)(H,36,37)/t27-/m0/s1