2-azanyl-3-[[1-(2-azanyl-3-methyl-butanoyl)-2-propyl-3,4-dihydro-1H-isoquinolin-3-yl]carbonyldisulfanyl]propanoic acid

Systemtic Name: 2-azanyl-3-[[1-(2-azanyl-3-methyl-butanoyl)-2-propyl-3,4-dihydro-1H-isoquinolin-3-yl]carbonyldisulfanyl]propanoic acid Openeye Name: 2-amino-3-[[1-(2-amino-3-methyl-butanoyl)-2-propyl-3,4-dihydro-1H-isoquinoline-3-carbonyl]disulfanyl]propanoic acid CAS Name: 2-amino-3-[[[1-(2-amino-3-methyl-1-oxobutyl)-2-propyl-3,4-dihydro-1H-isoquinolin-3-yl]-oxomethyl]disulfanyl]propanoic acid IUPAC Name: 2-amino-3-[[1-(2-amino-3-methylbutanoyl)-2-propyl-3,4-dihydro-1H-isoquinoline-3-carbonyl]disulfanyl]propanoic acid Traditional Name: 2-amino-3-[[1-(2-amino-3-methyl-butanoyl)-2-propyl-3,4-dihydro-1H-isoquinoline-3-carbonyl]disulfanyl]propionic acid Formula: C21H31N3O4S2 MolecularWeight: 453.61854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(CC2=CC=CC=C2C1C(=O)C(C(C)C)N)C(=O)SSCC(C(=O)O)N

Isomeric SMILES

CCCN1C(CC2=CC=CC=C2C1C(=O)C(C(C)C)N)C(=O)SSCC(C(=O)O)N

InChI

InChI=1S/C21H31N3O4S2/c1-4-9-24-16(21(28)30-29-11-15(22)20(26)27)10-13-7-5-6-8-14(13)18(24)19(25)17(23)12(2)3/h5-8,12,15-18H,4,9-11,22-23H2,1-3H3,(H,26,27)