(2S)-N-[(2R)-3-(2-azanylethylsulfonyl)-1-(2-cyclohexylethylamino)-1-oxidanylidene-propan-2-yl]-2-[2-[4-[4-(2-methylimidazol-1-yl)butyl]phenyl]ethanoylamino]-3-oxidanyl-propanamide

Systemtic Name: (2S)-N-[(2R)-3-(2-azanylethylsulfonyl)-1-(2-cyclohexylethylamino)-1-oxidanylidene-propan-2-yl]-2-[2-[4-[4-(2-methylimidazol-1-yl)butyl]phenyl]ethanoylamino]-3-oxidanyl-propanamide Openeye Name: (2S)-N-[(1R)-1-(2-aminoethylsulfonylmethyl)-2-(2-cyclohexylethylamino)-2-oxo-ethyl]-3-hydroxy-2-[[2-[4-[4-(2-methylimidazol-1-yl)butyl]phenyl]acetyl]amino]propanamide CAS Name: (2S)-N-[(2R)-3-(2-aminoethylsulfonyl)-1-(2-cyclohexylethylamino)-1-oxopropan-2-yl]-3-hydroxy-2-[[2-[4-[4-(2-methyl-1-imidazolyl)butyl]phenyl]-1-oxoethyl]amino]propanamide IUPAC Name: (2S)-N-[(2R)-3-(2-aminoethylsulfonyl)-1-(2-cyclohexylethylamino)-1-oxopropan-2-yl]-3-hydroxy-2-[[2-[4-[4-(2-methylimidazol-1-yl)butyl]phenyl]acetyl]amino]propanamide Traditional Name: (2S)-N-[(1R)-2-(2-cyclohexylethylamino)-2-keto-1-(taurylmethyl)ethyl]-3-hydroxy-2-[[2-[4-[4-(2-methylimidazol-1-yl)butyl]phenyl]acetyl]amino]propionamide Formula: C32H50N6O6S MolecularWeight: 646.841

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CN1CCCCC2=CC=C(C=C2)CC(=O)NC(CO)C(=O)NC(CS(=O)(=O)CCN)C(=O)NCCC3CCCCC3

Isomeric SMILES

CC1=NC=CN1CCCCC2=CC=C(C=C2)CC(=O)N[C@@H](CO)C(=O)N[C@@H](CS(=O)(=O)CCN)C(=O)NCCC3CCCCC3

InChI

InChI=1S/C32H50N6O6S/c1-24-34-17-19-38(24)18-6-5-9-26-10-12-27(13-11-26)21-30(40)36-28(22-39)32(42)37-29(23-45(43,44)20-15-33)31(41)35-16-14-25-7-3-2-4-8-25/h10-13,17,19,25,28-29,39H,2-9,14-16,18,20-23,33H2,1H3,(H,35,41)(H,36,40)(H,37,42)/t28-,29-/m0/s1