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

Systemtic Name: 4-azanyl-5-[[1-(carboxymethylamino)-3-methyl-1-oxidanylidene-3-(triphenylmethyl)sulfanyl-butan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 4-amino-5-[[1-(carboxymethylcarbamoyl)-2-methyl-2-tritylsulfanyl-propyl]amino]-5-oxo-pentanoic acid CAS Name: 4-amino-5-[[1-(carboxymethylamino)-3-methyl-1-oxo-3-[(triphenylmethyl)thio]butan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: 4-amino-5-[[1-(carboxymethylamino)-3-methyl-1-oxo-3-tritylsulfanylbutan-2-yl]amino]-5-oxopentanoic acid Traditional Name: 4-amino-5-[[1-(carboxymethylcarbamoyl)-2-methyl-2-(tritylthio)propyl]amino]-5-keto-valeric acid Formula: C31H35N3O6S MolecularWeight: 577.6911

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H35N3O6S/c1-30(2,27(29(40)33-20-26(37)38)34-28(39)24(32)18-19-25(35)36)41-31(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-17,24,27H,18-20,32H2,1-2H3,(H,33,40)(H,34,39)(H,35,36)(H,37,38)