(2S)-5-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]-5-oxidanylidene-2-(phenylmethoxycarbonylamino)pentanoic acid

Systemtic Name: (2S)-5-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]-5-oxidanylidene-2-(phenylmethoxycarbonylamino)pentanoic acid Openeye Name: (2S)-2-(benzyloxycarbonylamino)-5-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]-5-oxo-pentanoic acid CAS Name: (2S)-5-[4-(4-cyclohexylphenyl)sulfonyl-1-piperazinyl]-5-oxo-2-(phenylmethoxycarbonylamino)pentanoic acid IUPAC Name: (2S)-5-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]-5-oxo-2-(phenylmethoxycarbonylamino)pentanoic acid Traditional Name: (2S)-2-(benzyloxycarbonylamino)-5-[4-(4-cyclohexylphenyl)sulfonylpiperazino]-5-keto-valeric acid Formula: C29H37N3O7S MolecularWeight: 571.68498

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)CCC(C(=O)O)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)CC[C@@H](C(=O)O)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C29H37N3O7S/c33-27(16-15-26(28(34)35)30-29(36)39-21-22-7-3-1-4-8-22)31-17-19-32(20-18-31)40(37,38)25-13-11-24(12-14-25)23-9-5-2-6-10-23/h1,3-4,7-8,11-14,23,26H,2,5-6,9-10,15-21H2,(H,30,36)(H,34,35)/t26-/m0/s1