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

Systemtic Name: (2S)-5-(4-anthracen-9-ylsulfonylpiperazin-1-yl)-2-benzamido-5-oxidanylidene-pentanoic acid Openeye Name: (2S)-5-[4-(9-anthrylsulfonyl)piperazin-1-yl]-2-benzamido-5-oxo-pentanoic acid CAS Name: (2S)-5-[4-(9-anthracenylsulfonyl)-1-piperazinyl]-2-benzamido-5-oxopentanoic acid IUPAC Name: (2S)-5-(4-anthracen-9-ylsulfonylpiperazin-1-yl)-2-benzamido-5-oxopentanoic acid Traditional Name: (2S)-5-[4-(9-anthrylsulfonyl)piperazino]-2-benzamido-5-keto-valeric acid Formula: C30H29N3O6S MolecularWeight: 559.63276

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C30H29N3O6S/c34-27(15-14-26(30(36)37)31-29(35)21-8-2-1-3-9-21)32-16-18-33(19-17-32)40(38,39)28-24-12-6-4-10-22(24)20-23-11-5-7-13-25(23)28/h1-13,20,26H,14-19H2,(H,31,35)(H,36,37)/t26-/m0/s1