3-[2-[[3-(naphthalen-1-ylmethylcarbamoylamino)phenyl]carbonylamino]ethanoylamino]-3-pyridin-3-yl-propanoic acid

Systemtic Name: 3-[2-[[3-(naphthalen-1-ylmethylcarbamoylamino)phenyl]carbonylamino]ethanoylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[2-[[3-(1-naphthylmethylcarbamoylamino)benzoyl]amino]acetyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[2-[[[3-[[(1-naphthalenylmethylamino)-oxomethyl]amino]phenyl]-oxomethyl]amino]-1-oxoethyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[2-[[3-(naphthalen-1-ylmethylcarbamoylamino)benzoyl]amino]acetyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[2-[[3-(1-naphthylmethylcarbamoylamino)benzoyl]amino]acetyl]amino]-3-(3-pyridyl)propionic acid 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(=C3)C(=O)NCC(=O)NC(CC(=O)O)C4=CN=CC=C4

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2CNC(=O)NC3=CC=CC(=C3)C(=O)NCC(=O)NC(CC(=O)O)C4=CN=CC=C4

InChI

InChI=1S/C29H27N5O5/c35-26(34-25(15-27(36)37)22-10-5-13-30-16-22)18-31-28(38)20-8-4-11-23(14-20)33-29(39)32-17-21-9-3-7-19-6-1-2-12-24(19)21/h1-14,16,25H,15,17-18H2,(H,31,38)(H,34,35)(H,36,37)(H2,32,33,39)