5-azanyl-2-[[1-(carboxymethylamino)-1-oxidanylidene-3-(triphenylmethyl)sulfanyl-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-azanyl-2-[[1-(carboxymethylamino)-1-oxidanylidene-3-(triphenylmethyl)sulfanyl-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-amino-2-[[2-(carboxymethylamino)-2-oxo-1-(tritylsulfanylmethyl)ethyl]amino]-5-oxo-pentanoic acid CAS Name: 5-amino-2-[[1-(carboxymethylamino)-1-oxo-3-[(triphenylmethyl)thio]propan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: 5-amino-2-[[1-(carboxymethylamino)-1-oxo-3-tritylsulfanylpropan-2-yl]amino]-5-oxopentanoic acid Traditional Name: 5-amino-2-[[2-(carboxymethylamino)-2-keto-1-[(tritylthio)methyl]ethyl]amino]-5-keto-valeric acid Formula: C29H31N3O6S MolecularWeight: 549.63794

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SCC(C(=O)NCC(=O)O)NC(CCC(=O)N)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SCC(C(=O)NCC(=O)O)NC(CCC(=O)N)C(=O)O

InChI

InChI=1S/C29H31N3O6S/c30-25(33)17-16-23(28(37)38)32-24(27(36)31-18-26(34)35)19-39-29(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,23-24,32H,16-19H2,(H2,30,33)(H,31,36)(H,34,35)(H,37,38)