2-[[1-[3-[(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)disulfanyl]-2-methyl-propanoyl]pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[1-[3-[(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)disulfanyl]-2-methyl-propanoyl]pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[1-[3-[(2-amino-3-hydroxy-3-oxo-propyl)disulfanyl]-2-methyl-propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[[1-[3-[(2-amino-3-hydroxy-3-oxopropyl)disulfanyl]-2-methyl-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[1-[3-[(2-amino-3-hydroxy-3-oxopropyl)disulfanyl]-2-methylpropanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[1-[3-[(2-amino-3-hydroxy-3-keto-propyl)disulfanyl]-2-methyl-propanoyl]prolyl]amino]-3-phenyl-propionic acid Formula: C21H29N3O6S2 MolecularWeight: 483.60146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CSSCC(C(=O)O)N)C(=O)N1CCCC1C(=O)NC(CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(CSSCC(C(=O)O)N)C(=O)N1CCCC1C(=O)NC(CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C21H29N3O6S2/c1-13(11-31-32-12-15(22)20(27)28)19(26)24-9-5-8-17(24)18(25)23-16(21(29)30)10-14-6-3-2-4-7-14/h2-4,6-7,13,15-17H,5,8-12,22H2,1H3,(H,23,25)(H,27,28)(H,29,30)