(2S)-2-[[(2S)-2-[[(2S)-2-[(5-bromanyl-2-oxidanyl-phenyl)methylamino]-3-methyl-butanoyl]amino]-3-phenyl-propanoyl]amino]-4-methylsulfanyl-butanoic acid

Systemtic Name: (2S)-2-[[(2S)-2-[[(2S)-2-[(5-bromanyl-2-oxidanyl-phenyl)methylamino]-3-methyl-butanoyl]amino]-3-phenyl-propanoyl]amino]-4-methylsulfanyl-butanoic acid Openeye Name: (2S)-2-[[(2S)-2-[[(2S)-2-[(5-bromo-2-hydroxy-phenyl)methylamino]-3-methyl-butanoyl]amino]-3-phenyl-propanoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: (2S)-2-[[(2S)-2-[[(2S)-2-[(5-bromo-2-hydroxyphenyl)methylamino]-3-methyl-1-oxobutyl]amino]-1-oxo-3-phenylpropyl]amino]-4-(methylthio)butanoic acid IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-[(5-bromo-2-hydroxyphenyl)methylamino]-3-methylbutanoyl]amino]-3-phenylpropanoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: (2S)-2-[[(2S)-2-[[(2S)-2-[(5-bromo-2-hydroxy-benzyl)amino]-3-methyl-butanoyl]amino]-3-phenyl-propanoyl]amino]-4-(methylthio)butyric acid Formula: C26H34BrN3O5S MolecularWeight: 580.53426

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCSC)C(=O)O)NCC2=C(C=CC(=C2)Br)O

Isomeric SMILES

CC(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCSC)C(=O)O)NCC2=C(C=CC(=C2)Br)O

InChI

InChI=1S/C26H34BrN3O5S/c1-16(2)23(28-15-18-14-19(27)9-10-22(18)31)25(33)30-21(13-17-7-5-4-6-8-17)24(32)29-20(26(34)35)11-12-36-3/h4-10,14,16,20-21,23,28,31H,11-13,15H2,1-3H3,(H,29,32)(H,30,33)(H,34,35)/t20-,21-,23-/m0/s1