methyl (2S)-2-[[(2S)-2-[[(2S)-2-ethanoylsulfanyl-3-methyl-pentanoyl]amino]-3-phenyl-butanoyl]amino]-3-(4-hydroxyphenyl)propanoate

Systemtic Name: methyl (2S)-2-[[(2S)-2-[[(2S)-2-ethanoylsulfanyl-3-methyl-pentanoyl]amino]-3-phenyl-butanoyl]amino]-3-(4-hydroxyphenyl)propanoate Openeye Name: methyl (2S)-2-[[(2S)-2-[[(2S)-2-acetylsulfanyl-3-methyl-pentanoyl]amino]-3-phenyl-butanoyl]amino]-3-(4-hydroxyphenyl)propanoate CAS Name: (2S)-2-[[(2S)-2-[[(2S)-2-(acetylthio)-3-methyl-1-oxopentyl]amino]-1-oxo-3-phenylbutyl]amino]-3-(4-hydroxyphenyl)propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2S)-2-[[(2S)-2-acetylsulfanyl-3-methylpentanoyl]amino]-3-phenylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoate Traditional Name: (2S)-2-[[(2S)-2-[[(2S)-2-(acetylthio)-3-methyl-pentanoyl]amino]-3-phenyl-butanoyl]amino]-3-(4-hydroxyphenyl)propionic acid methyl ester Formula: C28H36N2O6S MolecularWeight: 528.66024

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(C(C)C1=CC=CC=C1)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)OC)SC(=O)C

Isomeric SMILES

CCC(C)[C@@H](C(=O)N[C@@H](C(C)C1=CC=CC=C1)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)OC)SC(=O)C

InChI

InChI=1S/C28H36N2O6S/c1-6-17(2)25(37-19(4)31)27(34)30-24(18(3)21-10-8-7-9-11-21)26(33)29-23(28(35)36-5)16-20-12-14-22(32)15-13-20/h7-15,17-18,23-25,32H,6,16H2,1-5H3,(H,29,33)(H,30,34)/t17?,18?,23-,24-,25-/m0/s1