3-[[4-(4-cyclopropylcarbonyl-1,4-diazepan-1-yl)-3-(propylcarbamoylamino)phenyl]carbonylamino]-3-pyridin-3-yl-propanoic acid

Systemtic Name: 3-[[4-(4-cyclopropylcarbonyl-1,4-diazepan-1-yl)-3-(propylcarbamoylamino)phenyl]carbonylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[4-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-3-(propylcarbamoylamino)benzoyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[[4-[4-[cyclopropyl(oxo)methyl]-1,4-diazepan-1-yl]-3-[[oxo(propylamino)methyl]amino]phenyl]-oxomethyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[4-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-3-(propylcarbamoylamino)benzoyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[4-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-3-(propylcarbamoylamino)benzoyl]amino]-3-(3-pyridyl)propionic acid Formula: C28H36N6O5 MolecularWeight: 536.62264

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)NC1=C(C=CC(=C1)C(=O)NC(CC(=O)O)C2=CN=CC=C2)N3CCCN(CC3)C(=O)C4CC4

Isomeric SMILES

CCCNC(=O)NC1=C(C=CC(=C1)C(=O)NC(CC(=O)O)C2=CN=CC=C2)N3CCCN(CC3)C(=O)C4CC4

InChI

InChI=1S/C28H36N6O5/c1-2-10-30-28(39)32-23-16-20(26(37)31-22(17-25(35)36)21-5-3-11-29-18-21)8-9-24(23)33-12-4-13-34(15-14-33)27(38)19-6-7-19/h3,5,8-9,11,16,18-19,22H,2,4,6-7,10,12-15,17H2,1H3,(H,31,37)(H,35,36)(H2,30,32,39)