N-[(2S)-4-methyl-1-oxidanylidene-1-[[(2S,3S)-5-phenyl-1-(phenylsulfonyl)-2-sulfanyl-pentan-3-yl]amino]pentan-2-yl]piperazine-1-carboxamide

Systemtic Name: N-[(2S)-4-methyl-1-oxidanylidene-1-[[(2S,3S)-5-phenyl-1-(phenylsulfonyl)-2-sulfanyl-pentan-3-yl]amino]pentan-2-yl]piperazine-1-carboxamide Openeye Name: N-[(1S)-1-[[(1S,2S)-3-(benzenesulfonyl)-1-phenethyl-2-sulfanyl-propyl]carbamoyl]-3-methyl-butyl]piperazine-1-carboxamide CAS Name: N-[(2S)-1-[[(2S,3S)-1-(benzenesulfonyl)-2-mercapto-5-phenylpentan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]-1-piperazinecarboxamide IUPAC Name: N-[(2S)-1-[[(2S,3S)-1-(benzenesulfonyl)-5-phenyl-2-sulfanylpentan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]piperazine-1-carboxamide Traditional Name: N-[(1S)-1-[[(1S,2S)-3-besyl-2-mercapto-1-phenethyl-propyl]carbamoyl]-3-methyl-butyl]piperazine-1-carboxamide Formula: C28H40N4O4S2 MolecularWeight: 560.7716

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CCC1=CC=CC=C1)C(CS(=O)(=O)C2=CC=CC=C2)S)NC(=O)N3CCNCC3

Isomeric SMILES

CC(C)C[C@@H](C(=O)N[C@@H](CCC1=CC=CC=C1)[C@@H](CS(=O)(=O)C2=CC=CC=C2)S)NC(=O)N3CCNCC3

InChI

InChI=1S/C28H40N4O4S2/c1-21(2)19-25(31-28(34)32-17-15-29-16-18-32)27(33)30-24(14-13-22-9-5-3-6-10-22)26(37)20-38(35,36)23-11-7-4-8-12-23/h3-12,21,24-26,29,37H,13-20H2,1-2H3,(H,30,33)(H,31,34)/t24-,25-,26+/m0/s1