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

Systemtic Name: 2-[[2-azanyl-3-methyl-3-(triphenylmethyl)sulfanyl-butanoyl]-butoxycarbonyl-amino]-3-(4-sulfophenyl)propanoic acid Openeye Name: 2-[(2-amino-3-methyl-3-tritylsulfanyl-butanoyl)-butoxycarbonyl-amino]-3-(4-sulfophenyl)propanoic acid CAS Name: 2-[[2-amino-3-methyl-1-oxo-3-[(triphenylmethyl)thio]butyl]-[butoxy(oxo)methyl]amino]-3-(4-sulfophenyl)propanoic acid IUPAC Name: 2-[(2-amino-3-methyl-3-tritylsulfanylbutanoyl)-butoxycarbonylamino]-3-(4-sulfophenyl)propanoic acid Traditional Name: 2-[[2-amino-3-methyl-3-(tritylthio)butanoyl]-butoxycarbonyl-amino]-3-(4-sulfophenyl)propionic acid Formula: C38H42N2O8S2 MolecularWeight: 718.87868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C38H42N2O8S2/c1-4-5-25-48-36(44)40(32(35(42)43)26-27-21-23-31(24-22-27)50(45,46)47)34(41)33(39)37(2,3)49-38(28-15-9-6-10-16-28,29-17-11-7-12-18-29)30-19-13-8-14-20-30/h6-24,32-33H,4-5,25-26,39H2,1-3H3,(H,42,43)(H,45,46,47)