N-[4-[azanyl(propan-2-yl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide

Systemtic Name: N-[4-[azanyl(propan-2-yl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide Openeye Name: N-[3-[amino(isopropyl)amino]-1-benzyl-2-hydroxy-propyl]-2-(quinoline-2-carbonylamino)butanediamide CAS Name: N-[4-[amino(propan-2-yl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-[[oxo(2-quinolinyl)methyl]amino]butanediamide IUPAC Name: N-[4-[amino(propan-2-yl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-(quinoline-2-carbonylamino)butanediamide Traditional Name: N-[3-[amino(isopropyl)amino]-1-benzyl-2-hydroxy-propyl]-2-(quinaldoylamino)succinamide Formula: C27H34N6O4 MolecularWeight: 506.59666

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC(C(CC1=CC=CC=C1)NC(=O)C(CC(=O)N)NC(=O)C2=NC3=CC=CC=C3C=C2)O)N

Isomeric SMILES

CC(C)N(CC(C(CC1=CC=CC=C1)NC(=O)C(CC(=O)N)NC(=O)C2=NC3=CC=CC=C3C=C2)O)N

InChI

InChI=1S/C27H34N6O4/c1-17(2)33(29)16-24(34)22(14-18-8-4-3-5-9-18)31-27(37)23(15-25(28)35)32-26(36)21-13-12-19-10-6-7-11-20(19)30-21/h3-13,17,22-24,34H,14-16,29H2,1-2H3,(H2,28,35)(H,31,37)(H,32,36)