2-[(2-azanyl-3-methyl-3-sulfanyl-butanoyl)-(triphenylmethyl)amino]-3-(4-sulfophenyl)propanoic acid

Systemtic Name: 2-[(2-azanyl-3-methyl-3-sulfanyl-butanoyl)-(triphenylmethyl)amino]-3-(4-sulfophenyl)propanoic acid Openeye Name: 2-[(2-amino-3-methyl-3-sulfanyl-butanoyl)-trityl-amino]-3-(4-sulfophenyl)propanoic acid CAS Name: 2-[(2-amino-3-mercapto-3-methyl-1-oxobutyl)-(triphenylmethyl)amino]-3-(4-sulfophenyl)propanoic acid IUPAC Name: 2-[(2-amino-3-methyl-3-sulfanylbutanoyl)-tritylamino]-3-(4-sulfophenyl)propanoic acid Traditional Name: 2-[(2-amino-3-mercapto-3-methyl-butanoyl)-trityl-amino]-3-(4-sulfophenyl)propionic acid Formula: C33H34N2O6S2 MolecularWeight: 618.76286

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C(=O)N(C(CC1=CC=C(C=C1)S(=O)(=O)O)C(=O)O)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)N)S

Isomeric SMILES

CC(C)(C(C(=O)N(C(CC1=CC=C(C=C1)S(=O)(=O)O)C(=O)O)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)N)S

InChI

InChI=1S/C33H34N2O6S2/c1-32(2,42)29(34)30(36)35(28(31(37)38)22-23-18-20-27(21-19-23)43(39,40)41)33(24-12-6-3-7-13-24,25-14-8-4-9-15-25)26-16-10-5-11-17-26/h3-21,28-29,42H,22,34H2,1-2H3,(H,37,38)(H,39,40,41)