(3S)-3-[[(2S)-2-[2-[2,4-bis(bromanyl)phenyl]ethanoylamino]-3-methyl-butanoyl]amino]-4-oxidanylidene-5-(phenylmethylsulfanyl)pentanoic acid

Systemtic Name: (3S)-3-[[(2S)-2-[2-[2,4-bis(bromanyl)phenyl]ethanoylamino]-3-methyl-butanoyl]amino]-4-oxidanylidene-5-(phenylmethylsulfanyl)pentanoic acid Openeye Name: (3S)-5-benzylsulfanyl-3-[[(2S)-2-[[2-(2,4-dibromophenyl)acetyl]amino]-3-methyl-butanoyl]amino]-4-oxo-pentanoic acid CAS Name: (3S)-3-[[(2S)-2-[[2-(2,4-dibromophenyl)-1-oxoethyl]amino]-3-methyl-1-oxobutyl]amino]-4-oxo-5-(phenylmethylthio)pentanoic acid IUPAC Name: (3S)-5-benzylsulfanyl-3-[[(2S)-2-[[2-(2,4-dibromophenyl)acetyl]amino]-3-methylbutanoyl]amino]-4-oxopentanoic acid Traditional Name: (3S)-5-(benzylthio)-3-[[(2S)-2-[[2-(2,4-dibromophenyl)acetyl]amino]-3-methyl-butanoyl]amino]-4-keto-valeric acid Formula: C25H28Br2N2O5S MolecularWeight: 628.37322

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CC(=O)O)C(=O)CSCC1=CC=CC=C1)NC(=O)CC2=C(C=C(C=C2)Br)Br

Isomeric SMILES

CC(C)[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)CSCC1=CC=CC=C1)NC(=O)CC2=C(C=C(C=C2)Br)Br

InChI

InChI=1S/C25H28Br2N2O5S/c1-15(2)24(29-22(31)10-17-8-9-18(26)11-19(17)27)25(34)28-20(12-23(32)33)21(30)14-35-13-16-6-4-3-5-7-16/h3-9,11,15,20,24H,10,12-14H2,1-2H3,(H,28,34)(H,29,31)(H,32,33)/t20-,24-/m0/s1