(3,4-dimethylphenyl) 6-azanyl-2-[(2-azanyl-3-thiophen-2-yl-propanoyl)amino]hexanoate

Systemtic Name: (3,4-dimethylphenyl) 6-azanyl-2-[(2-azanyl-3-thiophen-2-yl-propanoyl)amino]hexanoate Openeye Name: (3,4-dimethylphenyl) 6-amino-2-[[2-amino-3-(2-thienyl)propanoyl]amino]hexanoate CAS Name: 6-amino-2-[(2-amino-1-oxo-3-thiophen-2-ylpropyl)amino]hexanoic acid (3,4-dimethylphenyl) ester IUPAC Name: (3,4-dimethylphenyl) 6-amino-2-[(2-amino-3-thiophen-2-ylpropanoyl)amino]hexanoate Traditional Name: 6-amino-2-[[2-amino-3-(2-thienyl)propanoyl]amino]hexanoic acid (3,4-dimethylphenyl) ester Formula: C21H29N3O3S MolecularWeight: 403.53826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OC(=O)C(CCCCN)NC(=O)C(CC2=CC=CS2)N)C

Isomeric SMILES

CC1=C(C=C(C=C1)OC(=O)C(CCCCN)NC(=O)C(CC2=CC=CS2)N)C

InChI

InChI=1S/C21H29N3O3S/c1-14-8-9-16(12-15(14)2)27-21(26)19(7-3-4-10-22)24-20(25)18(23)13-17-6-5-11-28-17/h5-6,8-9,11-12,18-19H,3-4,7,10,13,22-23H2,1-2H3,(H,24,25)