(3S)-5-bromanyl-3-[[3-[1-[2-(1H-indol-3-yl)ethanoylamino]-2-methyl-propyl]-5-(phenylmethyl)-4H-1,2-oxazol-5-yl]carbonylamino]-4-oxidanylidene-pentanoic acid

Systemtic Name: (3S)-5-bromanyl-3-[[3-[1-[2-(1H-indol-3-yl)ethanoylamino]-2-methyl-propyl]-5-(phenylmethyl)-4H-1,2-oxazol-5-yl]carbonylamino]-4-oxidanylidene-pentanoic acid Openeye Name: (3S)-3-[[5-benzyl-3-[1-[[2-(1H-indol-3-yl)acetyl]amino]-2-methyl-propyl]-4H-isoxazole-5-carbonyl]amino]-5-bromo-4-oxo-pentanoic acid CAS Name: (3S)-5-bromo-3-[[[3-[1-[[2-(1H-indol-3-yl)-1-oxoethyl]amino]-2-methylpropyl]-5-(phenylmethyl)-4H-isoxazol-5-yl]-oxomethyl]amino]-4-oxopentanoic acid IUPAC Name: (3S)-3-[[5-benzyl-3-[1-[[2-(1H-indol-3-yl)acetyl]amino]-2-methylpropyl]-4H-1,2-oxazole-5-carbonyl]amino]-5-bromo-4-oxopentanoic acid Traditional Name: (3S)-3-[[5-benzyl-3-[1-[[2-(1H-indol-3-yl)acetyl]amino]-2-methyl-propyl]-2-isoxazoline-5-carbonyl]amino]-5-bromo-4-keto-valeric acid Formula: C30H33BrN4O6 MolecularWeight: 625.51022

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=NOC(C1)(CC2=CC=CC=C2)C(=O)NC(CC(=O)O)C(=O)CBr)NC(=O)CC3=CNC4=CC=CC=C43

Isomeric SMILES

CC(C)C(C1=NOC(C1)(CC2=CC=CC=C2)C(=O)N[C@@H](CC(=O)O)C(=O)CBr)NC(=O)CC3=CNC4=CC=CC=C43

InChI

InChI=1S/C30H33BrN4O6/c1-18(2)28(34-26(37)12-20-17-32-22-11-7-6-10-21(20)22)24-15-30(41-35-24,14-19-8-4-3-5-9-19)29(40)33-23(13-27(38)39)25(36)16-31/h3-11,17-18,23,28,32H,12-16H2,1-2H3,(H,33,40)(H,34,37)(H,38,39)/t23-,28?,30?/m0/s1