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

Systemtic Name: (2S)-2-azanyl-5-[[1-(carboxymethylamino)-1-oxidanylidene-3-phenethylsulfanyl-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: (2S)-2-amino-5-[[2-(carboxymethylamino)-2-oxo-1-(phenethylsulfanylmethyl)ethyl]amino]-5-oxo-pentanoic acid CAS Name: (2S)-2-amino-5-[[1-(carboxymethylamino)-1-oxo-3-(phenethylthio)propan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: (2S)-2-amino-5-[[1-(carboxymethylamino)-1-oxo-3-phenethylsulfanylpropan-2-yl]amino]-5-oxopentanoic acid Traditional Name: (2S)-2-amino-5-[[2-(carboxymethylamino)-2-keto-1-[(phenethylthio)methyl]ethyl]amino]-5-keto-valeric acid Formula: C18H25N3O6S MolecularWeight: 411.4726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)CCSCC(C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N

InChI

InChI=1S/C18H25N3O6S/c19-13(18(26)27)6-7-15(22)21-14(17(25)20-10-16(23)24)11-28-9-8-12-4-2-1-3-5-12/h1-5,13-14H,6-11,19H2,(H,20,25)(H,21,22)(H,23,24)(H,26,27)/t13-,14?/m0/s1