(2R)-N-(3-azanylpropyl)-3-naphthalen-2-yl-2-[3-(3-oxidanylidene-1,4-benzoxazin-4-yl)propanoylamino]propanamide

Systemtic Name: (2R)-N-(3-azanylpropyl)-3-naphthalen-2-yl-2-[3-(3-oxidanylidene-1,4-benzoxazin-4-yl)propanoylamino]propanamide Openeye Name: (2R)-N-(3-aminopropyl)-3-(2-naphthyl)-2-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoylamino]propanamide CAS Name: (2R)-N-(3-aminopropyl)-3-(2-naphthalenyl)-2-[[1-oxo-3-(3-oxo-1,4-benzoxazin-4-yl)propyl]amino]propanamide IUPAC Name: (2R)-N-(3-aminopropyl)-3-naphthalen-2-yl-2-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoylamino]propanamide Traditional Name: (2R)-N-(3-aminopropyl)-2-[3-(3-keto-1,4-benzoxazin-4-yl)propanoylamino]-3-(2-naphthyl)propionamide Formula: C27H30N4O4 MolecularWeight: 474.5515

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=CC=CC=C2O1)CCC(=O)NC(CC3=CC4=CC=CC=C4C=C3)C(=O)NCCCN

Isomeric SMILES

C1C(=O)N(C2=CC=CC=C2O1)CCC(=O)N[C@H](CC3=CC4=CC=CC=C4C=C3)C(=O)NCCCN

InChI

InChI=1S/C27H30N4O4/c28-13-5-14-29-27(34)22(17-19-10-11-20-6-1-2-7-21(20)16-19)30-25(32)12-15-31-23-8-3-4-9-24(23)35-18-26(31)33/h1-4,6-11,16,22H,5,12-15,17-18,28H2,(H,29,34)(H,30,32)/t22-/m1/s1