tert-butyl 2-[[2-[(4-carbamimidoylphenyl)carbamoyl]cyclopropyl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: tert-butyl 2-[[2-[(4-carbamimidoylphenyl)carbamoyl]cyclopropyl]carbonylamino]-3-phenyl-propanoate Openeye Name: tert-butyl 2-[[2-[(4-carbamimidoylphenyl)carbamoyl]cyclopropanecarbonyl]amino]-3-phenyl-propanoate CAS Name: 2-[[[2-[(4-carbamimidoylanilino)-oxomethyl]cyclopropyl]-oxomethyl]amino]-3-phenylpropanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[2-[(4-carbamimidoylphenyl)carbamoyl]cyclopropanecarbonyl]amino]-3-phenylpropanoate Traditional Name: 2-[[2-[(4-amidinophenyl)carbamoyl]cyclopropanecarbonyl]amino]-3-phenyl-propionic acid tert-butyl ester Formula: C25H30N4O4 MolecularWeight: 450.5301

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CC1=CC=CC=C1)NC(=O)C2CC2C(=O)NC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CC(C)(C)OC(=O)C(CC1=CC=CC=C1)NC(=O)C2CC2C(=O)NC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C25H30N4O4/c1-25(2,3)33-24(32)20(13-15-7-5-4-6-8-15)29-23(31)19-14-18(19)22(30)28-17-11-9-16(10-12-17)21(26)27/h4-12,18-20H,13-14H2,1-3H3,(H3,26,27)(H,28,30)(H,29,31)