(2S)-2-[[(2S)-2-[[(2S)-2-[(4-hydroxyphenyl)carbonylamino]-3-methyl-butanoyl]amino]-3-phenyl-propanoyl]amino]-4-methylsulfanyl-butanoic acid

Systemtic Name: (2S)-2-[[(2S)-2-[[(2S)-2-[(4-hydroxyphenyl)carbonylamino]-3-methyl-butanoyl]amino]-3-phenyl-propanoyl]amino]-4-methylsulfanyl-butanoic acid Openeye Name: (2S)-2-[[(2S)-2-[[(2S)-2-[(4-hydroxybenzoyl)amino]-3-methyl-butanoyl]amino]-3-phenyl-propanoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(4-hydroxyphenyl)-oxomethyl]amino]-3-methyl-1-oxobutyl]amino]-1-oxo-3-phenylpropyl]amino]-4-(methylthio)butanoic acid IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-[(4-hydroxybenzoyl)amino]-3-methylbutanoyl]amino]-3-phenylpropanoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: (2S)-2-[[(2S)-2-[[(2S)-2-[(4-hydroxybenzoyl)amino]-3-methyl-butanoyl]amino]-3-phenyl-propanoyl]amino]-4-(methylthio)butyric acid Formula: C26H33N3O6S MolecularWeight: 515.62172

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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)NC(=O)C2=CC=C(C=C2)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)NC(=O)C2=CC=C(C=C2)O

InChI

InChI=1S/C26H33N3O6S/c1-16(2)22(29-23(31)18-9-11-19(30)12-10-18)25(33)28-21(15-17-7-5-4-6-8-17)24(32)27-20(26(34)35)13-14-36-3/h4-12,16,20-22,30H,13-15H2,1-3H3,(H,27,32)(H,28,33)(H,29,31)(H,34,35)/t20-,21-,22-/m0/s1