(2S)-2-[[(2S)-1-[5-(benzamidomethyl)thiophen-2-yl]sulfonylpyrrolidin-2-yl]carbonylamino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid

Systemtic Name: (2S)-2-[[(2S)-1-[5-(benzamidomethyl)thiophen-2-yl]sulfonylpyrrolidin-2-yl]carbonylamino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid Openeye Name: (2S)-2-[[(2S)-1-[[5-(benzamidomethyl)-2-thienyl]sulfonyl]pyrrolidine-2-carbonyl]amino]-3-(4-tert-butoxyphenyl)propanoic acid CAS Name: (2S)-2-[[[(2S)-1-[[5-(benzamidomethyl)-2-thiophenyl]sulfonyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid IUPAC Name: (2S)-2-[[(2S)-1-[5-(benzamidomethyl)thiophen-2-yl]sulfonylpyrrolidine-2-carbonyl]amino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid Traditional Name: (2S)-2-[[(2S)-1-[[5-(benzamidomethyl)-2-thienyl]sulfonyl]prolyl]amino]-3-(4-tert-butoxyphenyl)propionic acid Formula: C30H35N3O7S2 MolecularWeight: 613.7448

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC1=CC=C(C=C1)CC(C(=O)O)NC(=O)C2CCCN2S(=O)(=O)C3=CC=C(S3)CNC(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)[C@@H]2CCCN2S(=O)(=O)C3=CC=C(S3)CNC(=O)C4=CC=CC=C4

InChI

InChI=1S/C30H35N3O7S2/c1-30(2,3)40-22-13-11-20(12-14-22)18-24(29(36)37)32-28(35)25-10-7-17-33(25)42(38,39)26-16-15-23(41-26)19-31-27(34)21-8-5-4-6-9-21/h4-6,8-9,11-16,24-25H,7,10,17-19H2,1-3H3,(H,31,34)(H,32,35)(H,36,37)/t24-,25-/m0/s1