2-[[2-(naphthalen-1-ylmethylcarbamoylamino)phenyl]carbonylamino]ethanoyl 3-(2-azanylpyridin-3-yl)propanoate

Systemtic Name: 2-[[2-(naphthalen-1-ylmethylcarbamoylamino)phenyl]carbonylamino]ethanoyl 3-(2-azanylpyridin-3-yl)propanoate Openeye Name: [2-[[2-(1-naphthylmethylcarbamoylamino)benzoyl]amino]acetyl] 3-(2-amino-3-pyridyl)propanoate CAS Name: 3-(2-amino-3-pyridinyl)propanoic acid [2-[[[2-[[(1-naphthalenylmethylamino)-oxomethyl]amino]phenyl]-oxomethyl]amino]-1-oxoethyl] ester IUPAC Name: [2-[[2-(naphthalen-1-ylmethylcarbamoylamino)benzoyl]amino]acetyl] 3-(2-aminopyridin-3-yl)propanoate Traditional Name: 3-(2-amino-3-pyridyl)propionic acid [2-[[2-(1-naphthylmethylcarbamoylamino)benzoyl]amino]acetyl] ester Formula: C29H27N5O5 MolecularWeight: 525.55518

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2CNC(=O)NC3=CC=CC=C3C(=O)NCC(=O)OC(=O)CCC4=C(N=CC=C4)N

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2CNC(=O)NC3=CC=CC=C3C(=O)NCC(=O)OC(=O)CCC4=C(N=CC=C4)N

InChI

InChI=1S/C29H27N5O5/c30-27-20(10-6-16-31-27)14-15-25(35)39-26(36)18-32-28(37)23-12-3-4-13-24(23)34-29(38)33-17-21-9-5-8-19-7-1-2-11-22(19)21/h1-13,16H,14-15,17-18H2,(H2,30,31)(H,32,37)(H2,33,34,38)