tert-butyl (E)-3-[2-[[2-[[2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-butanoyl]amino]propanoylamino]-5-(phenylsulfonyl)pent-4-enoate

Systemtic Name: tert-butyl (E)-3-[2-[[2-[[2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-butanoyl]amino]propanoylamino]-5-(phenylsulfonyl)pent-4-enoate Openeye Name: tert-butyl (E)-3-[2-[[2-[[2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-butanoyl]amino]propanoylamino]-5-(benzenesulfonyl)pent-4-enoate CAS Name: (E)-3-[[2-[[2-[[2-acetamido-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-methyl-1-oxobutyl]amino]-1-oxopropyl]amino]-5-(benzenesulfonyl)-4-pentenoic acid tert-butyl ester IUPAC Name: tert-butyl (E)-3-[2-[[2-[[2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]amino]propanoylamino]-5-(benzenesulfonyl)pent-4-enoate Traditional Name: (E)-3-[2-[[2-[[2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-butanoyl]amino]propanoylamino]-5-besyl-pent-4-enoic acid tert-butyl ester Formula: C34H46N4O9S MolecularWeight: 686.81544

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(C)C(=O)NC(CC(=O)OC(C)(C)C)C=CS(=O)(=O)C1=CC=CC=C1)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C

Isomeric SMILES

CC(C)C(C(=O)NC(C)C(=O)NC(CC(=O)OC(C)(C)C)/C=C/S(=O)(=O)C1=CC=CC=C1)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C

InChI

InChI=1S/C34H46N4O9S/c1-21(2)30(38-32(43)28(36-23(4)39)19-24-13-15-26(40)16-14-24)33(44)35-22(3)31(42)37-25(20-29(41)47-34(5,6)7)17-18-48(45,46)27-11-9-8-10-12-27/h8-18,21-22,25,28,30,40H,19-20H2,1-7H3,(H,35,44)(H,36,39)(H,37,42)(H,38,43)/b18-17+