(3S)-3-azanyl-4-[[(2S)-3-(4-hydroxyphenyl)-1-[[(2S)-1-[[(2S)-1-[[(2S)-3-(1H-imidazol-5-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: (3S)-3-azanyl-4-[[(2S)-3-(4-hydroxyphenyl)-1-[[(2S)-1-[[(2S)-1-[[(2S)-3-(1H-imidazol-5-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: (3S)-3-amino-4-[[(1S)-2-[[(1S)-1-benzyl-2-[[(1S)-1-[[(1S)-2-hydroxy-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]carbamoyl]-3-methylsulfanyl-propyl]amino]-2-oxo-ethyl]amino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]amino]-4-oxo-butanoic acid CAS Name: (3S)-3-amino-4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-hydroxy-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-4-(methylthio)-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid IUPAC Name: (3S)-3-amino-4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-hydroxy-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid Traditional Name: (3S)-3-amino-4-[[(1S)-2-[[(1S)-1-benzyl-2-[[(1S)-1-[[(1S)-2-hydroxy-1-(1H-imidazol-5-ylmethyl)-2-keto-ethyl]carbamoyl]-3-(methylthio)propyl]amino]-2-keto-ethyl]amino]-1-(4-hydroxybenzyl)-2-keto-ethyl]amino]-4-keto-butyric acid Formula: C33H41N7O9S MolecularWeight: 711.78514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC(CC1=CN=CN1)C(=O)O)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CC3=CC=C(C=C3)O)NC(=O)C(CC(=O)O)N

Isomeric SMILES

CSCC[C@@H](C(=O)N[C@@H](CC1=CN=CN1)C(=O)O)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)[C@H](CC(=O)O)N

InChI

InChI=1S/C33H41N7O9S/c1-50-12-11-24(30(45)40-27(33(48)49)15-21-17-35-18-36-21)37-31(46)26(13-19-5-3-2-4-6-19)39-32(47)25(14-20-7-9-22(41)10-8-20)38-29(44)23(34)16-28(42)43/h2-10,17-18,23-27,41H,11-16,34H2,1H3,(H,35,36)(H,37,46)(H,38,44)(H,39,47)(H,40,45)(H,42,43)(H,48,49)/t23-,24-,25-,26-,27-/m0/s1