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

Systemtic Name: (2S)-5-(4-anthracen-9-ylsulfonylpiperazin-1-yl)-2-azanyl-5-oxidanylidene-pentanoic acid Openeye Name: (2S)-2-amino-5-[4-(9-anthrylsulfonyl)piperazin-1-yl]-5-oxo-pentanoic acid CAS Name: (2S)-2-amino-5-[4-(9-anthracenylsulfonyl)-1-piperazinyl]-5-oxopentanoic acid IUPAC Name: (2S)-2-amino-5-(4-anthracen-9-ylsulfonylpiperazin-1-yl)-5-oxopentanoic acid Traditional Name: (2S)-2-amino-5-[4-(9-anthrylsulfonyl)piperazino]-5-keto-valeric acid Formula: C23H25N3O5S MolecularWeight: 455.5267

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCC(C(=O)O)N)S(=O)(=O)C2=C3C=CC=CC3=CC4=CC=CC=C42

Isomeric SMILES

C1CN(CCN1C(=O)CC[C@@H](C(=O)O)N)S(=O)(=O)C2=C3C=CC=CC3=CC4=CC=CC=C42

InChI

InChI=1S/C23H25N3O5S/c24-20(23(28)29)9-10-21(27)25-11-13-26(14-12-25)32(30,31)22-18-7-3-1-5-16(18)15-17-6-2-4-8-19(17)22/h1-8,15,20H,9-14,24H2,(H,28,29)/t20-/m0/s1