3-[[[1-(1-benzothiophen-2-ylcarbonylamino)cyclopentyl]carbonylamino]-(3-phenylpropanoyl)amino]propanoic acid

Systemtic Name: 3-[[[1-(1-benzothiophen-2-ylcarbonylamino)cyclopentyl]carbonylamino]-(3-phenylpropanoyl)amino]propanoic acid Openeye Name: 3-[[[1-(benzothiophene-2-carbonylamino)cyclopentanecarbonyl]amino]-(3-phenylpropanoyl)amino]propanoic acid CAS Name: 3-[[[[1-[[1-benzothiophen-2-yl(oxo)methyl]amino]cyclopentyl]-oxomethyl]amino]-(1-oxo-3-phenylpropyl)amino]propanoic acid IUPAC Name: 3-[[[1-(1-benzothiophene-2-carbonylamino)cyclopentanecarbonyl]amino]-(3-phenylpropanoyl)amino]propanoic acid Traditional Name: 3-[[[1-(benzothiophene-2-carbonylamino)cyclopentanecarbonyl]amino]-hydrocinnamoyl-amino]propionic acid Formula: C27H29N3O5S MolecularWeight: 507.60126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C(=O)NN(CCC(=O)O)C(=O)CCC2=CC=CC=C2)NC(=O)C3=CC4=CC=CC=C4S3

Isomeric SMILES

C1CCC(C1)(C(=O)NN(CCC(=O)O)C(=O)CCC2=CC=CC=C2)NC(=O)C3=CC4=CC=CC=C4S3

InChI

InChI=1S/C27H29N3O5S/c31-23(13-12-19-8-2-1-3-9-19)30(17-14-24(32)33)29-26(35)27(15-6-7-16-27)28-25(34)22-18-20-10-4-5-11-21(20)36-22/h1-5,8-11,18H,6-7,12-17H2,(H,28,34)(H,29,35)(H,32,33)