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

Systemtic Name: 3-[[3-(cyclopropylcarbonylamino)-4-(4-cyclopropylcarbonyl-1,4-diazepan-1-yl)phenyl]carbonylamino]-3-thiophen-2-yl-propanoic acid Openeye Name: 3-[[3-(cyclopropanecarbonylamino)-4-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]benzoyl]amino]-3-(2-thienyl)propanoic acid CAS Name: 3-[[[3-[[cyclopropyl(oxo)methyl]amino]-4-[4-[cyclopropyl(oxo)methyl]-1,4-diazepan-1-yl]phenyl]-oxomethyl]amino]-3-thiophen-2-ylpropanoic acid IUPAC Name: 3-[[3-(cyclopropanecarbonylamino)-4-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]benzoyl]amino]-3-thiophen-2-ylpropanoic acid Traditional Name: 3-[[3-(cyclopropanecarbonylamino)-4-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]benzoyl]amino]-3-(2-thienyl)propionic acid Formula: C27H32N4O5S MolecularWeight: 524.63178

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2CC2)C3=C(C=C(C=C3)C(=O)NC(CC(=O)O)C4=CC=CS4)NC(=O)C5CC5

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2CC2)C3=C(C=C(C=C3)C(=O)NC(CC(=O)O)C4=CC=CS4)NC(=O)C5CC5

InChI

InChI=1S/C27H32N4O5S/c32-24(33)16-21(23-3-1-14-37-23)29-26(35)19-8-9-22(20(15-19)28-25(34)17-4-5-17)30-10-2-11-31(13-12-30)27(36)18-6-7-18/h1,3,8-9,14-15,17-18,21H,2,4-7,10-13,16H2,(H,28,34)(H,29,35)(H,32,33)