3-[[3-benzamido-4-[4-(phenylcarbonyl)-1,4-diazepan-1-yl]phenyl]carbonylamino]-3-thiophen-2-yl-propanoic acid

Systemtic Name: 3-[[3-benzamido-4-[4-(phenylcarbonyl)-1,4-diazepan-1-yl]phenyl]carbonylamino]-3-thiophen-2-yl-propanoic acid Openeye Name: 3-[[3-benzamido-4-(4-benzoyl-1,4-diazepan-1-yl)benzoyl]amino]-3-(2-thienyl)propanoic acid CAS Name: 3-[[[3-benzamido-4-(4-benzoyl-1,4-diazepan-1-yl)phenyl]-oxomethyl]amino]-3-thiophen-2-ylpropanoic acid IUPAC Name: 3-[[3-benzamido-4-(4-benzoyl-1,4-diazepan-1-yl)benzoyl]amino]-3-thiophen-2-ylpropanoic acid Traditional Name: 3-[[3-benzamido-4-(4-benzoyl-1,4-diazepan-1-yl)benzoyl]amino]-3-(2-thienyl)propionic acid Formula: C33H32N4O5S MolecularWeight: 596.69598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC=CC=C2)C3=C(C=C(C=C3)C(=O)NC(CC(=O)O)C4=CC=CS4)NC(=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC=CC=C2)C3=C(C=C(C=C3)C(=O)NC(CC(=O)O)C4=CC=CS4)NC(=O)C5=CC=CC=C5

InChI

InChI=1S/C33H32N4O5S/c38-30(39)22-27(29-13-7-20-43-29)35-32(41)25-14-15-28(26(21-25)34-31(40)23-9-3-1-4-10-23)36-16-8-17-37(19-18-36)33(42)24-11-5-2-6-12-24/h1-7,9-15,20-21,27H,8,16-19,22H2,(H,34,40)(H,35,41)(H,38,39)